3-amino-N-phenyl-4-piperazin-1-ylbenzenesulfonamide

C16H20N4O2S — CID 22272481

IUPAC3-amino-N-phenyl-4-piperazin-1-ylbenzenesulfonamide
SMILESNc1cc(S(=O)(=O)Nc2ccccc2)ccc1N1CCNCC1
InChIInChI=1S/C16H20N4O2S/c17-15-12-14(6-7-16(15)20-10-8-18-9-11-20)23(21,22)19-13-4-2-1-3-5-13/h1-7,12,18-19H,8-11,17H2
InChIKeyVPJVAFWWXGTZPR-UHFFFAOYSA-N
MW332.43 g/mol
LogP1.48
Rot. Bonds4

About 3-amino-N-phenyl-4-piperazin-1-ylbenzenesulfonamide

3-amino-N-phenyl-4-piperazin-1-ylbenzenesulfonamide (PubChem CID 22272481) has the molecular formula C16H20N4O2S and a molecular weight of 332.43 g/mol. Its IUPAC name is 3-amino-N-phenyl-4-piperazin-1-ylbenzenesulfonamide.

Molecular Properties

Compound Name3-amino-N-phenyl-4-piperazin-1-ylbenzenesulfonamide
PubChem CID22272481
Molecular FormulaC16H20N4O2S
Molecular Weight332.43 g/mol
Exact Mass332.13
IUPAC Name3-amino-N-phenyl-4-piperazin-1-ylbenzenesulfonamide
SMILESNc1cc(S(=O)(=O)Nc2ccccc2)ccc1N1CCNCC1
InChIInChI=1S/C16H20N4O2S/c17-15-12-14(6-7-16(15)20-10-8-18-9-11-20)23(21,22)19-13-4-2-1-3-5-13/h1-7,12,18-19H,8-11,17H2
InChIKeyVPJVAFWWXGTZPR-UHFFFAOYSA-N
XLogP1.48
TPSA87.46 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.43
LogP ≤ 51.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-amino-N-(2-methoxyphenyl)-4-piperazin-1-ylbenzenesulfonamide;hydrochloride
CID 22272475
4-(1,4-diazepan-1-yl)-3-nitro-N-phenylbenzenesulfonamide;hydrochloride
CID 22272566
1-[4-(phenylsulfamoyl)-2-(sulfinatoamino)phenyl]-1,4-diazepane;yttrium(3+)
CID 23403357
3-amino-4-(1,4-diazepan-1-yl)-N-methyl-N-phenylbenzenesulfonamide;hydrochloride
CID 10157618
3-amino-N-(3-chloro-2-methylphenyl)-4-(1,4-diazepan-1-yl)benzenesulfonamide;hydrochloride
CID 10224673
N-(3-piperazin-1-ylphenyl)benzenesulfonamide
CID 11849196
N-(4-nitro-3-piperazin-1-ylphenyl)benzenesulfonamide;hydrochloride
CID 22272495
3-amino-4-(1,4-diazepan-1-yl)-N-(4-methoxyphenyl)benzenesulfonamide;N-[2-[benzenesulfonyl(methyl)amino]-5-(1,4-diazepan-1-yl)phenyl]-4-methylbenzenesulfonamide;dihydrochloride
CID 159809781
3-amino-4-chloro-N-phenylbenzenesulfonamide
CID 2873180
3-amino-4-(azepan-1-yl)-N-methylbenzenesulfonamide
CID 43449085
2-(1,4-diazepan-1-yl)-5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)aniline;trihydrochloride
CID 22272511
3-amino-4-hydroxy-N-phenylbenzenesulfonamide;hydrochloride
CID 3018876

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-phenyl-4-piperazin-1-ylbenzenesulfonamide?
The IUPAC name of 3-amino-N-phenyl-4-piperazin-1-ylbenzenesulfonamide (CID 22272481) is 3-amino-N-phenyl-4-piperazin-1-ylbenzenesulfonamide.
What is the SMILES notation for 3-amino-N-phenyl-4-piperazin-1-ylbenzenesulfonamide?
The canonical SMILES for 3-amino-N-phenyl-4-piperazin-1-ylbenzenesulfonamide is Nc1cc(S(=O)(=O)Nc2ccccc2)ccc1N1CCNCC1.
What is the InChIKey of 3-amino-N-phenyl-4-piperazin-1-ylbenzenesulfonamide?
The InChIKey is VPJVAFWWXGTZPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2S/c17-15-12-14(6-7-16(15)20-10-8-18-9-11-20)23(21,22)19-13-4-2-1-3-5-13/h1-7,12,18-19H,8-11,17H2.
What are the key properties of 3-amino-N-phenyl-4-piperazin-1-ylbenzenesulfonamide?
3-amino-N-phenyl-4-piperazin-1-ylbenzenesulfonamide has a molecular weight of 332.43 g/mol, XLogP of 1.48, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-phenyl-4-piperazin-1-ylbenzenesulfonamide is sourced from PubChem (CID 22272481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).