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

C16H18ClNO2S — CID 22773341

IUPACN-(4-chlorophenyl)-4-(2-methylpropyl)benzenesulfonamide
SMILESCC(C)Cc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1
InChIInChI=1S/C16H18ClNO2S/c1-12(2)11-13-3-9-16(10-4-13)21(19,20)18-15-7-5-14(17)6-8-15/h3-10,12,18H,11H2,1-2H3
InChIKeyKHZBMTCJAFVCND-UHFFFAOYSA-N
MW323.85 g/mol
LogP4.34
Rot. Bonds5

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

N-(4-chlorophenyl)-4-(2-methylpropyl)benzenesulfonamide (PubChem CID 22773341) has the molecular formula C16H18ClNO2S and a molecular weight of 323.85 g/mol. Its IUPAC name is N-(4-chlorophenyl)-4-(2-methylpropyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-4-(2-methylpropyl)benzenesulfonamide
PubChem CID22773341
Molecular FormulaC16H18ClNO2S
Molecular Weight323.85 g/mol
Exact Mass323.07
IUPAC NameN-(4-chlorophenyl)-4-(2-methylpropyl)benzenesulfonamide
SMILESCC(C)Cc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1
InChIInChI=1S/C16H18ClNO2S/c1-12(2)11-13-3-9-16(10-4-13)21(19,20)18-15-7-5-14(17)6-8-15/h3-10,12,18H,11H2,1-2H3
InChIKeyKHZBMTCJAFVCND-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-chloro-N-[4-(chloromethyl)phenyl]benzenesulfonamide
CID 65031117
4-chloro-N-[4-(propan-2-ylamino)phenyl]benzenesulfonamide
CID 112979886
4-chloro-N-(4-propylphenyl)benzenesulfonamide
CID 167013208
4-chloro-N-[4-(3-methylbutylamino)phenyl]benzenesulfonamide
CID 112985139
N-[4-[(2-methylphenyl)sulfamoyl]phenyl]-4-(2-methylpropyl)benzenesulfonamide
CID 22202709
N-[3-chloro-4-(methanesulfonamido)phenyl]-4-(2-methylpropyl)benzenesulfonamide
CID 39329194
4-(2-chloroethyl)-N-(4-chlorophenyl)benzenesulfonamide
CID 43662747
N-(4-chlorophenyl)-4-[2-(methylamino)ethyl]benzenesulfonamide
CID 106060850
N-(4-chlorophenyl)-4-(ethylsulfonylamino)benzenesulfonamide
CID 22202641
propan-2-yl 4-[[4-(2-methylpropyl)phenyl]sulfonylamino]benzoate
CID 22774775
4-(2-methylpropyl)-N-propan-2-ylbenzenesulfonamide
CID 19681167
4-[(4-chlorophenyl)sulfonylamino]-N-(4-methylphenyl)benzenesulfonamide
CID 3719852

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-4-(2-methylpropyl)benzenesulfonamide?
The IUPAC name of N-(4-chlorophenyl)-4-(2-methylpropyl)benzenesulfonamide (CID 22773341) is N-(4-chlorophenyl)-4-(2-methylpropyl)benzenesulfonamide.
What is the SMILES notation for N-(4-chlorophenyl)-4-(2-methylpropyl)benzenesulfonamide?
The canonical SMILES for N-(4-chlorophenyl)-4-(2-methylpropyl)benzenesulfonamide is CC(C)Cc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1.
What is the InChIKey of N-(4-chlorophenyl)-4-(2-methylpropyl)benzenesulfonamide?
The InChIKey is KHZBMTCJAFVCND-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClNO2S/c1-12(2)11-13-3-9-16(10-4-13)21(19,20)18-15-7-5-14(17)6-8-15/h3-10,12,18H,11H2,1-2H3.
What are the key properties of N-(4-chlorophenyl)-4-(2-methylpropyl)benzenesulfonamide?
N-(4-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-(4-chlorophenyl)-4-(2-methylpropyl)benzenesulfonamide is sourced from PubChem (CID 22773341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).