| CAS Number | 1330751-23-9 |
| Catalog Number | AG01DV9F |
| Chemical Name | 4-(Pyrrolidin-1-ylsulfonyl)benzene-1,2-diamine |
| IUPAC Name | 4-pyrrolidin-1-ylsulfonylbenzene-1,2-diamine |
| InChI | InChI=1S/C10H15N3O2S/c11-9-4-3-8(7-10(9)12)16(14,15)13-5-1-2-6-13/h3-4,7H,1-2,5-6,11-12H2 |
| InChI Key | BBBGYVTWCHIVCH-UHFFFAOYSA-N |
| MDL Number | MFCD19981946 |
| Molecular Formula | C10H15N3O2S |
| Molecular Weight | 241.31 |
| SMILES | NC1=C(N)C=C(S(N2CCCC2)(=O)=O)C=C1 |
| Synonyms | 4-(Pyrrolidin-1-ylsulfonyl)benzene-1,2-diamine,
1330751-23-9,
ZINC72207260,
AKOS027450405,
4-(pyrrolidine-1-sulfonyl)benzene-1,2-diamine,
4-(PYRROLIDINE-1-SULFONYL)-BENZENE-1,2-DIAMINE,
|
| Complexity | 333 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 241.088g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 241.309g/mol |
| Monoisotopic Mass | 241.088g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 97.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.2 |
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