N-[1-(4-chlorophenyl)-3-phenylpropyl]-4-methylbenzenesulfonamide

C22H22ClNO2S — CID 102575603

IUPACN-[1-(4-chlorophenyl)-3-phenylpropyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NC(CCc2ccccc2)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C22H22ClNO2S/c1-17-7-14-21(15-8-17)27(25,26)24-22(19-10-12-20(23)13-11-19)16-9-18-5-3-2-4-6-18/h2-8,10-15,22,24H,9,16H2,1H3
InChIKeyMBNCBVAWBLLRFT-UHFFFAOYSA-N
MW399.94 g/mol
LogP5.30
Rot. Bonds7

About N-[1-(4-chlorophenyl)-3-phenylpropyl]-4-methylbenzenesulfonamide

N-[1-(4-chlorophenyl)-3-phenylpropyl]-4-methylbenzenesulfonamide (PubChem CID 102575603) has the molecular formula C22H22ClNO2S and a molecular weight of 399.94 g/mol. Its IUPAC name is N-[1-(4-chlorophenyl)-3-phenylpropyl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[1-(4-chlorophenyl)-3-phenylpropyl]-4-methylbenzenesulfonamide
PubChem CID102575603
Molecular FormulaC22H22ClNO2S
Molecular Weight399.94 g/mol
Exact Mass399.11
IUPAC NameN-[1-(4-chlorophenyl)-3-phenylpropyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NC(CCc2ccccc2)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C22H22ClNO2S/c1-17-7-14-21(15-8-17)27(25,26)24-22(19-10-12-20(23)13-11-19)16-9-18-5-3-2-4-6-18/h2-8,10-15,22,24H,9,16H2,1H3
InChIKeyMBNCBVAWBLLRFT-UHFFFAOYSA-N
XLogP5.30
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.94
LogP ≤ 55.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1R)-1-(4-hydroxyphenyl)-3-phenylpropyl]-4-methylbenzenesulfonamide
CID 134955383
4-methyl-N-[1-(4-morpholin-4-ylphenyl)-3-phenylpropyl]benzenesulfonamide
CID 156775729
4-methyl-N-[1-(5-methylthiophen-2-yl)-3-phenylpropyl]benzenesulfonamide
CID 156775731
N-(3-chloro-1-phenylpropyl)-4-methylbenzenesulfonamide
CID 4961653
N-[1-(4-chlorophenyl)pent-4-enyl]-4-methylbenzenesulfonamide
CID 25019219
N-[(1R)-1-(2-methoxyphenyl)-3-phenylpropyl]-4-methylbenzenesulfonamide
CID 134955289
4-[4-[1-[(4-chlorophenyl)sulfonylamino]-6-phenylhexyl]phenyl]butanoic acid
CID 23353783
4-methyl-N-[1-phenyl-3-(3,4,5-trimethoxyphenyl)propyl]benzenesulfonamide
CID 156775716
N-[2-azido-1-(4-chlorophenyl)ethyl]-4-methylbenzenesulfonamide
CID 11245057
N-[2-amino-1-(4-phenylphenyl)ethyl]-4-chlorobenzenesulfonamide
CID 139608957
(2S)-N-[(1S)-1-(4-chlorophenyl)ethyl]-2-[(4-methylphenyl)sulfonylamino]-3-phenylpropanamide
CID 92645807
N-[(E)-5-(4-chlorophenyl)-3-oxo-1-phenylpent-4-enyl]-4-methylbenzenesulfonamide
CID 101494243

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-chlorophenyl)-3-phenylpropyl]-4-methylbenzenesulfonamide?
The IUPAC name of N-[1-(4-chlorophenyl)-3-phenylpropyl]-4-methylbenzenesulfonamide (CID 102575603) is N-[1-(4-chlorophenyl)-3-phenylpropyl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[1-(4-chlorophenyl)-3-phenylpropyl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[1-(4-chlorophenyl)-3-phenylpropyl]-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)NC(CCc2ccccc2)c2ccc(Cl)cc2)cc1.
What is the InChIKey of N-[1-(4-chlorophenyl)-3-phenylpropyl]-4-methylbenzenesulfonamide?
The InChIKey is MBNCBVAWBLLRFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22ClNO2S/c1-17-7-14-21(15-8-17)27(25,26)24-22(19-10-12-20(23)13-11-19)16-9-18-5-3-2-4-6-18/h2-8,10-15,22,24H,9,16H2,1H3.
What are the key properties of N-[1-(4-chlorophenyl)-3-phenylpropyl]-4-methylbenzenesulfonamide?
N-[1-(4-chlorophenyl)-3-phenylpropyl]-4-methylbenzenesulfonamide has a molecular weight of 399.94 g/mol, XLogP of 5.30, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-chlorophenyl)-3-phenylpropyl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 102575603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).