4-amino-N-(3-phenylbutyl)benzenesulfonamide

C16H20N2O2S — CID 62986614

IUPAC4-amino-N-(3-phenylbutyl)benzenesulfonamide
SMILESCC(CCNS(=O)(=O)c1ccc(N)cc1)c1ccccc1
InChIInChI=1S/C16H20N2O2S/c1-13(14-5-3-2-4-6-14)11-12-18-21(19,20)16-9-7-15(17)8-10-16/h2-10,13,18H,11-12,17H2,1H3
InChIKeyGGRBLWZKAGEAJJ-UHFFFAOYSA-N
MW304.42 g/mol
LogP2.74
Rot. Bonds6

About 4-amino-N-(3-phenylbutyl)benzenesulfonamide

4-amino-N-(3-phenylbutyl)benzenesulfonamide (PubChem CID 62986614) has the molecular formula C16H20N2O2S and a molecular weight of 304.42 g/mol. Its IUPAC name is 4-amino-N-(3-phenylbutyl)benzenesulfonamide.

Molecular Properties

Compound Name4-amino-N-(3-phenylbutyl)benzenesulfonamide
PubChem CID62986614
Molecular FormulaC16H20N2O2S
Molecular Weight304.42 g/mol
Exact Mass304.12
IUPAC Name4-amino-N-(3-phenylbutyl)benzenesulfonamide
SMILESCC(CCNS(=O)(=O)c1ccc(N)cc1)c1ccccc1
InChIInChI=1S/C16H20N2O2S/c1-13(14-5-3-2-4-6-14)11-12-18-21(19,20)16-9-7-15(17)8-10-16/h2-10,13,18H,11-12,17H2,1H3
InChIKeyGGRBLWZKAGEAJJ-UHFFFAOYSA-N
XLogP2.74
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N-[2-(methanesulfonamido)ethyl]benzenesulfonamide
CID 43545911
N-[4-(4-aminophenyl)sulfanylpentyl]benzenesulfonamide
CID 67598790
(2S)-2-amino-4-[(4-aminophenyl)sulfonylamino]butanoic acid
CID 67154285
4-amino-N-(2-pyridin-1-ium-1-ylethyl)benzenesulfonamide chloride
CID 70585913
N-(4-aminopentyl)benzenesulfonamide
CID 106125730
N-(3-hydroxybutyl)-4-propan-2-ylbenzenesulfonamide
CID 64913123
4-amino-N-(2-bromoethyl)benzenesulfonamide
CID 125484136
4-amino-N-[2-[2-[(4-aminophenyl)sulfonylamino]ethylsulfonyl]ethyl]benzenesulfonamide
CID 141378845
1-(4-aminophenyl)-N-(2-phenylpropyl)methanesulfonamide
CID 61109652
N-(3,3-diphenylpropyl)-4-ethoxybenzenesulfonamide
CID 7938232
4-methyl-N-[3-phenyl-3-(4-propan-2-yloxyphenyl)propyl]benzenesulfonamide
CID 3729209
N-(4-aminophenyl)-2-phenylpropane-1-sulfonamide
CID 80685946

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(3-phenylbutyl)benzenesulfonamide?
The IUPAC name of 4-amino-N-(3-phenylbutyl)benzenesulfonamide (CID 62986614) is 4-amino-N-(3-phenylbutyl)benzenesulfonamide.
What is the SMILES notation for 4-amino-N-(3-phenylbutyl)benzenesulfonamide?
The canonical SMILES for 4-amino-N-(3-phenylbutyl)benzenesulfonamide is CC(CCNS(=O)(=O)c1ccc(N)cc1)c1ccccc1.
What is the InChIKey of 4-amino-N-(3-phenylbutyl)benzenesulfonamide?
The InChIKey is GGRBLWZKAGEAJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2S/c1-13(14-5-3-2-4-6-14)11-12-18-21(19,20)16-9-7-15(17)8-10-16/h2-10,13,18H,11-12,17H2,1H3.
What are the key properties of 4-amino-N-(3-phenylbutyl)benzenesulfonamide?
4-amino-N-(3-phenylbutyl)benzenesulfonamide has a molecular weight of 304.42 g/mol, XLogP of 2.74, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(3-phenylbutyl)benzenesulfonamide is sourced from PubChem (CID 62986614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).