N-(2-butylphenyl)-4-propan-2-ylbenzenesulfonamide

C19H25NO2S — CID 22774369

IUPACN-(2-butylphenyl)-4-propan-2-ylbenzenesulfonamide
SMILESCCCCc1ccccc1NS(=O)(=O)c1ccc(C(C)C)cc1
InChIInChI=1S/C19H25NO2S/c1-4-5-8-17-9-6-7-10-19(17)20-23(21,22)18-13-11-16(12-14-18)15(2)3/h6-7,9-15,20H,4-5,8H2,1-3H3
InChIKeyYSZRUMUWXQPWJA-UHFFFAOYSA-N
MW331.48 g/mol
LogP4.95
Rot. Bonds7

About N-(2-butylphenyl)-4-propan-2-ylbenzenesulfonamide

N-(2-butylphenyl)-4-propan-2-ylbenzenesulfonamide (PubChem CID 22774369) has the molecular formula C19H25NO2S and a molecular weight of 331.48 g/mol. Its IUPAC name is N-(2-butylphenyl)-4-propan-2-ylbenzenesulfonamide.

Molecular Properties

Compound NameN-(2-butylphenyl)-4-propan-2-ylbenzenesulfonamide
PubChem CID22774369
Molecular FormulaC19H25NO2S
Molecular Weight331.48 g/mol
Exact Mass331.16
IUPAC NameN-(2-butylphenyl)-4-propan-2-ylbenzenesulfonamide
SMILESCCCCc1ccccc1NS(=O)(=O)c1ccc(C(C)C)cc1
InChIInChI=1S/C19H25NO2S/c1-4-5-8-17-9-6-7-10-19(17)20-23(21,22)18-13-11-16(12-14-18)15(2)3/h6-7,9-15,20H,4-5,8H2,1-3H3
InChIKeyYSZRUMUWXQPWJA-UHFFFAOYSA-N
XLogP4.95
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.48
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-butyl-N-(2-butylphenyl)benzenesulfonamide
CID 22774370
N-(2-butylphenyl)-4-ethoxybenzenesulfonamide
CID 22774366
4-propan-2-yl-N-[2-(trifluoromethyl)phenyl]benzenesulfonamide
CID 3597122
N-(2-butylphenyl)-2-nitrobenzenesulfonamide
CID 22774386
2-[(4-propan-2-ylphenyl)sulfonylamino]benzoate
CID 7574221
2-methyl-N-(2-propylphenyl)benzenesulfonamide
CID 63000036
N-[2-(4-ethoxyphenoxy)phenyl]-4-propan-2-ylbenzenesulfonamide
CID 7938368
methyl 2-[(2-butylphenyl)sulfamoyl]benzoate
CID 54336773
2-[2-[(4-propan-2-ylphenyl)sulfonylamino]phenyl]sulfanylacetamide
CID 9068075
4-butan-2-yl-N-[2-(trifluoromethyl)phenyl]benzenesulfonamide
CID 22774163
4-butyl-N-(2-phenylsulfanylphenyl)benzenesulfonamide
CID 22202239
N-(2-butylphenyl)-2,1,3-benzoxadiazole-4-sulfonamide
CID 22774384

Frequently Asked Questions

What is the IUPAC name of N-(2-butylphenyl)-4-propan-2-ylbenzenesulfonamide?
The IUPAC name of N-(2-butylphenyl)-4-propan-2-ylbenzenesulfonamide (CID 22774369) is N-(2-butylphenyl)-4-propan-2-ylbenzenesulfonamide.
What is the SMILES notation for N-(2-butylphenyl)-4-propan-2-ylbenzenesulfonamide?
The canonical SMILES for N-(2-butylphenyl)-4-propan-2-ylbenzenesulfonamide is CCCCc1ccccc1NS(=O)(=O)c1ccc(C(C)C)cc1.
What is the InChIKey of N-(2-butylphenyl)-4-propan-2-ylbenzenesulfonamide?
The InChIKey is YSZRUMUWXQPWJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO2S/c1-4-5-8-17-9-6-7-10-19(17)20-23(21,22)18-13-11-16(12-14-18)15(2)3/h6-7,9-15,20H,4-5,8H2,1-3H3.
What are the key properties of N-(2-butylphenyl)-4-propan-2-ylbenzenesulfonamide?
N-(2-butylphenyl)-4-propan-2-ylbenzenesulfonamide has a molecular weight of 331.48 g/mol, XLogP of 4.95, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-butylphenyl)-4-propan-2-ylbenzenesulfonamide is sourced from PubChem (CID 22774369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).