4-butyl-N-(2-butylphenyl)benzenesulfonamide

C20H27NO2S — CID 22774370

IUPAC4-butyl-N-(2-butylphenyl)benzenesulfonamide
SMILESCCCCc1ccc(S(=O)(=O)Nc2ccccc2CCCC)cc1
InChIInChI=1S/C20H27NO2S/c1-3-5-9-17-13-15-19(16-14-17)24(22,23)21-20-12-8-7-11-18(20)10-6-4-2/h7-8,11-16,21H,3-6,9-10H2,1-2H3
InChIKeyXMHXMABDEIGUHS-UHFFFAOYSA-N
MW345.51 g/mol
LogP5.17
Rot. Bonds9

About 4-butyl-N-(2-butylphenyl)benzenesulfonamide

4-butyl-N-(2-butylphenyl)benzenesulfonamide (PubChem CID 22774370) has the molecular formula C20H27NO2S and a molecular weight of 345.51 g/mol. Its IUPAC name is 4-butyl-N-(2-butylphenyl)benzenesulfonamide.

Molecular Properties

Compound Name4-butyl-N-(2-butylphenyl)benzenesulfonamide
PubChem CID22774370
Molecular FormulaC20H27NO2S
Molecular Weight345.51 g/mol
Exact Mass345.18
IUPAC Name4-butyl-N-(2-butylphenyl)benzenesulfonamide
SMILESCCCCc1ccc(S(=O)(=O)Nc2ccccc2CCCC)cc1
InChIInChI=1S/C20H27NO2S/c1-3-5-9-17-13-15-19(16-14-17)24(22,23)21-20-12-8-7-11-18(20)10-6-4-2/h7-8,11-16,21H,3-6,9-10H2,1-2H3
InChIKeyXMHXMABDEIGUHS-UHFFFAOYSA-N
XLogP5.17
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.51
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-butylphenyl)-4-propan-2-ylbenzenesulfonamide
CID 22774369
N-(2-butylphenyl)-4-ethoxybenzenesulfonamide
CID 22774366
2-[(4-butylphenyl)sulfonylamino]benzamide
CID 3869387
4-butyl-N-(2-phenylsulfanylphenyl)benzenesulfonamide
CID 22202239
N-(2-butylphenyl)-2-nitrobenzenesulfonamide
CID 22774386
4-butyl-N-quinolin-5-ylbenzenesulfonamide
CID 3337546
3-[3-[2-[(4-ethylphenyl)sulfonylamino]phenyl]propyl]benzoic acid
CID 68688402
4-hexyl-N-(2-propan-2-yloxyphenyl)benzenesulfonamide
CID 84552349
2-[2-[4-[(4-butylphenyl)sulfonylamino]phenyl]ethyl]benzoic acid
CID 68690589
2-methyl-N-(2-propylphenyl)benzenesulfonamide
CID 63000036
4-butylbenzenesulfonohydrazide
CID 17255521
4-butyl-N-(3-ethylphenyl)benzenesulfonamide
CID 22773820

Frequently Asked Questions

What is the IUPAC name of 4-butyl-N-(2-butylphenyl)benzenesulfonamide?
The IUPAC name of 4-butyl-N-(2-butylphenyl)benzenesulfonamide (CID 22774370) is 4-butyl-N-(2-butylphenyl)benzenesulfonamide.
What is the SMILES notation for 4-butyl-N-(2-butylphenyl)benzenesulfonamide?
The canonical SMILES for 4-butyl-N-(2-butylphenyl)benzenesulfonamide is CCCCc1ccc(S(=O)(=O)Nc2ccccc2CCCC)cc1.
What is the InChIKey of 4-butyl-N-(2-butylphenyl)benzenesulfonamide?
The InChIKey is XMHXMABDEIGUHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27NO2S/c1-3-5-9-17-13-15-19(16-14-17)24(22,23)21-20-12-8-7-11-18(20)10-6-4-2/h7-8,11-16,21H,3-6,9-10H2,1-2H3.
What are the key properties of 4-butyl-N-(2-butylphenyl)benzenesulfonamide?
4-butyl-N-(2-butylphenyl)benzenesulfonamide has a molecular weight of 345.51 g/mol, XLogP of 5.17, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-N-(2-butylphenyl)benzenesulfonamide is sourced from PubChem (CID 22774370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).