3,4-diamino-N-benzhydrylbenzenesulfonamide

C19H19N3O2S — CID 142157498

IUPAC3,4-diamino-N-benzhydrylbenzenesulfonamide
SMILESNc1ccc(S(=O)(=O)NC(c2ccccc2)c2ccccc2)cc1N
InChIInChI=1S/C19H19N3O2S/c20-17-12-11-16(13-18(17)21)25(23,24)22-19(14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-13,19,22H,20-21H2
InChIKeyDANHQXZTJCYXFH-UHFFFAOYSA-N
MW353.45 g/mol
LogP2.92
Rot. Bonds5

About 3,4-diamino-N-benzhydrylbenzenesulfonamide

3,4-diamino-N-benzhydrylbenzenesulfonamide (PubChem CID 142157498) has the molecular formula C19H19N3O2S and a molecular weight of 353.45 g/mol. Its IUPAC name is 3,4-diamino-N-benzhydrylbenzenesulfonamide.

Molecular Properties

Compound Name3,4-diamino-N-benzhydrylbenzenesulfonamide
PubChem CID142157498
Molecular FormulaC19H19N3O2S
Molecular Weight353.45 g/mol
Exact Mass353.12
IUPAC Name3,4-diamino-N-benzhydrylbenzenesulfonamide
SMILESNc1ccc(S(=O)(=O)NC(c2ccccc2)c2ccccc2)cc1N
InChIInChI=1S/C19H19N3O2S/c20-17-12-11-16(13-18(17)21)25(23,24)22-19(14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-13,19,22H,20-21H2
InChIKeyDANHQXZTJCYXFH-UHFFFAOYSA-N
XLogP2.92
TPSA98.21 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.45
LogP ≤ 52.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-benzhydryl-4-phenylbenzenesulfonamide
CID 3504321
N-benzhydryl-3-fluorobenzenesulfonamide
CID 3697866
3,4-dichloro-N-[phenyl(pyridin-4-yl)methyl]benzenesulfonamide
CID 112771130
N-[(S)-(4-methoxyphenyl)-phenylmethyl]naphthalene-2-sulfonamide
CID 1259617
3,4-difluoro-N-[(R)-phenyl(pyridin-4-yl)methyl]benzenesulfonamide
CID 40738951
3-amino-4-methoxy-N-(1-phenylethyl)benzenesulfonamide
CID 43111821
3-amino-4-methoxy-N-[(1R)-1-phenylethyl]benzenesulfonamide
CID 30058768
N-benzhydryl-4-butan-2-ylbenzenesulfonamide
CID 19681704
3-amino-4-bromo-N-[(1S)-2-hydroxy-1-phenylethyl]benzenesulfonamide
CID 107861953
3-amino-N-[(1S)-1-phenylethyl]benzenesulfonamide
CID 30079896
N-[(S)-(3,4-dimethylphenyl)-phenylmethyl]benzenesulfonamide
CID 26528903
methyl 2-methyl-5-[[(R)-(4-methylphenyl)-phenylmethyl]sulfamoyl]benzoate
CID 100570774

Frequently Asked Questions

What is the IUPAC name of 3,4-diamino-N-benzhydrylbenzenesulfonamide?
The IUPAC name of 3,4-diamino-N-benzhydrylbenzenesulfonamide (CID 142157498) is 3,4-diamino-N-benzhydrylbenzenesulfonamide.
What is the SMILES notation for 3,4-diamino-N-benzhydrylbenzenesulfonamide?
The canonical SMILES for 3,4-diamino-N-benzhydrylbenzenesulfonamide is Nc1ccc(S(=O)(=O)NC(c2ccccc2)c2ccccc2)cc1N.
What is the InChIKey of 3,4-diamino-N-benzhydrylbenzenesulfonamide?
The InChIKey is DANHQXZTJCYXFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2S/c20-17-12-11-16(13-18(17)21)25(23,24)22-19(14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-13,19,22H,20-21H2.
What are the key properties of 3,4-diamino-N-benzhydrylbenzenesulfonamide?
3,4-diamino-N-benzhydrylbenzenesulfonamide has a molecular weight of 353.45 g/mol, XLogP of 2.92, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-diamino-N-benzhydrylbenzenesulfonamide is sourced from PubChem (CID 142157498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).