N-(2-chlorophenyl)-4-(2-methylpropyl)benzenesulfonamide

C16H18ClNO2S — CID 22773415

IUPACN-(2-chlorophenyl)-4-(2-methylpropyl)benzenesulfonamide
SMILESCC(C)Cc1ccc(S(=O)(=O)Nc2ccccc2Cl)cc1
InChIInChI=1S/C16H18ClNO2S/c1-12(2)11-13-7-9-14(10-8-13)21(19,20)18-16-6-4-3-5-15(16)17/h3-10,12,18H,11H2,1-2H3
InChIKeyUHRNLJAEXDCHPC-UHFFFAOYSA-N
MW323.85 g/mol
LogP4.34
Rot. Bonds5

About N-(2-chlorophenyl)-4-(2-methylpropyl)benzenesulfonamide

N-(2-chlorophenyl)-4-(2-methylpropyl)benzenesulfonamide (PubChem CID 22773415) has the molecular formula C16H18ClNO2S and a molecular weight of 323.85 g/mol. Its IUPAC name is N-(2-chlorophenyl)-4-(2-methylpropyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-4-(2-methylpropyl)benzenesulfonamide
PubChem CID22773415
Molecular FormulaC16H18ClNO2S
Molecular Weight323.85 g/mol
Exact Mass323.07
IUPAC NameN-(2-chlorophenyl)-4-(2-methylpropyl)benzenesulfonamide
SMILESCC(C)Cc1ccc(S(=O)(=O)Nc2ccccc2Cl)cc1
InChIInChI=1S/C16H18ClNO2S/c1-12(2)11-13-7-9-14(10-8-13)21(19,20)18-16-6-4-3-5-15(16)17/h3-10,12,18H,11H2,1-2H3
InChIKeyUHRNLJAEXDCHPC-UHFFFAOYSA-N
XLogP4.34
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.85
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2-methylpropyl)-N-(2-methylsulfanylphenyl)benzenesulfonamide
CID 17388107
N-[2-[(2R)-butan-2-yl]phenyl]-4-(2-methylpropyl)benzenesulfonamide
CID 26012723
N-[4-[(2-methylphenyl)sulfamoyl]phenyl]-4-(2-methylpropyl)benzenesulfonamide
CID 22202709
N-[3-chloro-4-(methanesulfonamido)phenyl]-4-(2-methylpropyl)benzenesulfonamide
CID 39329194
N-(4-chloro-2,5-dimethoxyphenyl)-4-(2-methylpropyl)benzenesulfonamide
CID 22774049
N-(4-chlorophenyl)-4-(2-methylpropyl)benzenesulfonamide
CID 22773341
N-(2-chlorophenyl)-4-iodobenzenesulfonamide
CID 47154415
4-(2-methylpropyl)-N-propan-2-ylbenzenesulfonamide
CID 19681167
N-(2-chlorophenyl)-4-(methanesulfonamido)benzenesulfonamide
CID 2467720
N-[4-[(2-chlorophenyl)sulfamoyl]phenyl]-4-methylbenzenesulfonamide
CID 1318754
N-methyl-4-(2-methylpropyl)benzenesulfonamide
CID 19684296
4-chloro-N-(2-chlorophenyl)-3-methylbenzenesulfonamide
CID 839413

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-4-(2-methylpropyl)benzenesulfonamide?
The IUPAC name of N-(2-chlorophenyl)-4-(2-methylpropyl)benzenesulfonamide (CID 22773415) is N-(2-chlorophenyl)-4-(2-methylpropyl)benzenesulfonamide.
What is the SMILES notation for N-(2-chlorophenyl)-4-(2-methylpropyl)benzenesulfonamide?
The canonical SMILES for N-(2-chlorophenyl)-4-(2-methylpropyl)benzenesulfonamide is CC(C)Cc1ccc(S(=O)(=O)Nc2ccccc2Cl)cc1.
What is the InChIKey of N-(2-chlorophenyl)-4-(2-methylpropyl)benzenesulfonamide?
The InChIKey is UHRNLJAEXDCHPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClNO2S/c1-12(2)11-13-7-9-14(10-8-13)21(19,20)18-16-6-4-3-5-15(16)17/h3-10,12,18H,11H2,1-2H3.
What are the key properties of N-(2-chlorophenyl)-4-(2-methylpropyl)benzenesulfonamide?
N-(2-chlorophenyl)-4-(2-methylpropyl)benzenesulfonamide has a molecular weight of 323.85 g/mol, XLogP of 4.34, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-4-(2-methylpropyl)benzenesulfonamide is sourced from PubChem (CID 22773415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).