N-(4-aminobutyl)-4-phenylbenzenesulfonamide

C16H20N2O2S — CID 11601917

IUPACN-(4-aminobutyl)-4-phenylbenzenesulfonamide
SMILESNCCCCNS(=O)(=O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C16H20N2O2S/c17-12-4-5-13-18-21(19,20)16-10-8-15(9-11-16)14-6-2-1-3-7-14/h1-3,6-11,18H,4-5,12-13,17H2
InChIKeyUHRPJKWBNMHTKF-UHFFFAOYSA-N
MW304.42 g/mol
LogP2.37
Rot. Bonds7

About N-(4-aminobutyl)-4-phenylbenzenesulfonamide

N-(4-aminobutyl)-4-phenylbenzenesulfonamide (PubChem CID 11601917) has the molecular formula C16H20N2O2S and a molecular weight of 304.42 g/mol. Its IUPAC name is N-(4-aminobutyl)-4-phenylbenzenesulfonamide.

Molecular Properties

Compound NameN-(4-aminobutyl)-4-phenylbenzenesulfonamide
PubChem CID11601917
Molecular FormulaC16H20N2O2S
Molecular Weight304.42 g/mol
Exact Mass304.12
IUPAC NameN-(4-aminobutyl)-4-phenylbenzenesulfonamide
SMILESNCCCCNS(=O)(=O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C16H20N2O2S/c17-12-4-5-13-18-21(19,20)16-10-8-15(9-11-16)14-6-2-1-3-7-14/h1-3,6-11,18H,4-5,12-13,17H2
InChIKeyUHRPJKWBNMHTKF-UHFFFAOYSA-N
XLogP2.37
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-pentyl-4-phenylbenzenesulfonamide
CID 3666440
N-(4-aminobutyl)-4-methylbenzenesulfonamide;hydrochloride
CID 120583806
N-(5-aminopentyl)-4-phenoxybenzenesulfonamide
CID 58080264
N-(4-aminobutyl)-2-phenylpyrimidine-5-sulfonamide
CID 120713435
N-(2-chloroethyl)-4-phenylbenzenesulfonamide
CID 162435603
N-(8-aminooctyl)-4-phenylmethoxybenzenesulfonamide
CID 152721242
N-[2-(ethylamino)ethyl]-4-phenylbenzenesulfonamide
CID 119973884
N-(4-aminobutyl)pyridine-3-sulfonamide
CID 60893787
N-[4-(4-aminobutylsulfamoyl)phenyl]acetamide;hydrochloride
CID 120583378
N-(2-aminoethyl)-4-methylbenzenesulfonamide;hydrochloride
CID 42943458
N-(4-bromobutyl)benzenesulfonamide
CID 106846700
N-(4-iodobutyl)benzenesulfonamide
CID 106846581

Frequently Asked Questions

What is the IUPAC name of N-(4-aminobutyl)-4-phenylbenzenesulfonamide?
The IUPAC name of N-(4-aminobutyl)-4-phenylbenzenesulfonamide (CID 11601917) is N-(4-aminobutyl)-4-phenylbenzenesulfonamide.
What is the SMILES notation for N-(4-aminobutyl)-4-phenylbenzenesulfonamide?
The canonical SMILES for N-(4-aminobutyl)-4-phenylbenzenesulfonamide is NCCCCNS(=O)(=O)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of N-(4-aminobutyl)-4-phenylbenzenesulfonamide?
The InChIKey is UHRPJKWBNMHTKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2S/c17-12-4-5-13-18-21(19,20)16-10-8-15(9-11-16)14-6-2-1-3-7-14/h1-3,6-11,18H,4-5,12-13,17H2.
What are the key properties of N-(4-aminobutyl)-4-phenylbenzenesulfonamide?
N-(4-aminobutyl)-4-phenylbenzenesulfonamide has a molecular weight of 304.42 g/mol, XLogP of 2.37, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminobutyl)-4-phenylbenzenesulfonamide is sourced from PubChem (CID 11601917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).