N-butyl-N-phenylbenzenesulfonamide

C16H19NO2S — CID 2990127

IUPACN-butyl-N-phenylbenzenesulfonamide
SMILESCCCCN(c1ccccc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C16H19NO2S/c1-2-3-14-17(15-10-6-4-7-11-15)20(18,19)16-12-8-5-9-13-16/h4-13H,2-3,14H2,1H3
InChIKeyBSODSUPDZAICEH-UHFFFAOYSA-N
MW289.40 g/mol
LogP3.68
Rot. Bonds6

About N-butyl-N-phenylbenzenesulfonamide

N-butyl-N-phenylbenzenesulfonamide (PubChem CID 2990127) has the molecular formula C16H19NO2S and a molecular weight of 289.40 g/mol. Its IUPAC name is N-butyl-N-phenylbenzenesulfonamide.

Molecular Properties

Compound NameN-butyl-N-phenylbenzenesulfonamide
PubChem CID2990127
Molecular FormulaC16H19NO2S
Molecular Weight289.40 g/mol
Exact Mass289.11
IUPAC NameN-butyl-N-phenylbenzenesulfonamide
SMILESCCCCN(c1ccccc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C16H19NO2S/c1-2-3-14-17(15-10-6-4-7-11-15)20(18,19)16-12-8-5-9-13-16/h4-13H,2-3,14H2,1H3
InChIKeyBSODSUPDZAICEH-UHFFFAOYSA-N
XLogP3.68
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Sulthiame
CID 5356
3-((Ethylphenylamino)methyl)benzenesulfonic acid
CID 66858
N-Phenyl-P-toluenesulfonanilide
CID 316053
4-amino-N,N-diethylbenzene-1-sulfonamide
CID 95067
2-Amino-N-cyclohexyl-N-methylbenzenesulfonamide
CID 116814
Benzenesulfonamide, p-((p-(dimethylamino)phenyl)azo)-
CID 75522
N,4-Dimethyl-N-phenylbenzenesulfonamide
CID 220023
Sodium m-(diethylamino)benzenesulphonate
CID 23669136
4-amino-N-ethyl-N-phenylbenzenesulfonamide
CID 833589
N-methyl-N-phenylmethanesulfonamide
CID 733944
4-(4-Benzenesulfonamidophenyl)piperazine
CID 11849789
1-(2,3,4,5,6-Pentafluorophenyl)sulfonyl-4-phenylpiperazine
CID 138529969

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-phenylbenzenesulfonamide?
The IUPAC name of N-butyl-N-phenylbenzenesulfonamide (CID 2990127) is N-butyl-N-phenylbenzenesulfonamide.
What is the SMILES notation for N-butyl-N-phenylbenzenesulfonamide?
The canonical SMILES for N-butyl-N-phenylbenzenesulfonamide is CCCCN(c1ccccc1)S(=O)(=O)c1ccccc1.
What is the InChIKey of N-butyl-N-phenylbenzenesulfonamide?
The InChIKey is BSODSUPDZAICEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO2S/c1-2-3-14-17(15-10-6-4-7-11-15)20(18,19)16-12-8-5-9-13-16/h4-13H,2-3,14H2,1H3.
What are the key properties of N-butyl-N-phenylbenzenesulfonamide?
N-butyl-N-phenylbenzenesulfonamide has a molecular weight of 289.40 g/mol, XLogP of 3.68, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-phenylbenzenesulfonamide is sourced from PubChem (CID 2990127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).