N-[2-(4-chlorophenyl)-3-(4-methylphenyl)sulfonylpropyl]methanesulfonamide

C17H20ClNO4S2 — CID 15423595

IUPACN-[2-(4-chlorophenyl)-3-(4-methylphenyl)sulfonylpropyl]methanesulfonamide
SMILESCc1ccc(S(=O)(=O)CC(CNS(C)(=O)=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C17H20ClNO4S2/c1-13-3-9-17(10-4-13)25(22,23)12-15(11-19-24(2,20)21)14-5-7-16(18)8-6-14/h3-10,15,19H,11-12H2,1-2H3
InChIKeySTWBLCHDTHCZRV-UHFFFAOYSA-N
MW401.94 g/mol
LogP2.76
Rot. Bonds7

About N-[2-(4-chlorophenyl)-3-(4-methylphenyl)sulfonylpropyl]methanesulfonamide

N-[2-(4-chlorophenyl)-3-(4-methylphenyl)sulfonylpropyl]methanesulfonamide (PubChem CID 15423595) has the molecular formula C17H20ClNO4S2 and a molecular weight of 401.94 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)-3-(4-methylphenyl)sulfonylpropyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)-3-(4-methylphenyl)sulfonylpropyl]methanesulfonamide
PubChem CID15423595
Molecular FormulaC17H20ClNO4S2
Molecular Weight401.94 g/mol
Exact Mass401.05
IUPAC NameN-[2-(4-chlorophenyl)-3-(4-methylphenyl)sulfonylpropyl]methanesulfonamide
SMILESCc1ccc(S(=O)(=O)CC(CNS(C)(=O)=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C17H20ClNO4S2/c1-13-3-9-17(10-4-13)25(22,23)12-15(11-19-24(2,20)21)14-5-7-16(18)8-6-14/h3-10,15,19H,11-12H2,1-2H3
InChIKeySTWBLCHDTHCZRV-UHFFFAOYSA-N
XLogP2.76
TPSA80.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.94
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(4-methylphenyl)sulfonyl-2-phenylpropyl]methanesulfonamide
CID 15423591
ethyl 4-[1-(methanesulfonamido)-3-(4-methylphenyl)sulfonylpropan-2-yl]benzoate
CID 15423598
N-[2-(4-chlorophenyl)-2-methoxyethyl]-4-methylbenzenesulfonamide
CID 134843251
N-[2-(4-chloroanilino)-2-(4-chlorophenyl)ethyl]-4-methylbenzenesulfonamide
CID 51356051
N-[2-(4-tert-butylphenyl)-2-(4-chlorophenyl)ethyl]-4-methylbenzenesulfonamide
CID 163217185
N-[(2R)-2-[(S)-(4-chlorophenyl)-hydroxymethyl]butyl]-4-methylbenzenesulfonamide
CID 177474536
(2R)-1-(4-chlorophenyl)sulfonylpropan-2-ol
CID 131862935
N-[2-(4-chlorophenyl)-2-propylsulfanylethyl]-4-methylbenzenesulfonamide
CID 51356515
N-hydroxy-4-[(2R)-1-(4-methylphenyl)sulfonylpentan-2-yl]benzamide
CID 58417597
2-(3-chloro-4-fluorophenyl)sulfonyl-1-(4-methylphenyl)ethanamine
CID 64675130
1-[2-(4-chlorophenyl)sulfanylethylsulfonyl]-4-methylbenzene
CID 2818837
N-(4-chlorophenyl)sulfonyl-4-methylbenzenesulfonamide
CID 10593652

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)-3-(4-methylphenyl)sulfonylpropyl]methanesulfonamide?
The IUPAC name of N-[2-(4-chlorophenyl)-3-(4-methylphenyl)sulfonylpropyl]methanesulfonamide (CID 15423595) is N-[2-(4-chlorophenyl)-3-(4-methylphenyl)sulfonylpropyl]methanesulfonamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)-3-(4-methylphenyl)sulfonylpropyl]methanesulfonamide?
The canonical SMILES for N-[2-(4-chlorophenyl)-3-(4-methylphenyl)sulfonylpropyl]methanesulfonamide is Cc1ccc(S(=O)(=O)CC(CNS(C)(=O)=O)c2ccc(Cl)cc2)cc1.
What is the InChIKey of N-[2-(4-chlorophenyl)-3-(4-methylphenyl)sulfonylpropyl]methanesulfonamide?
The InChIKey is STWBLCHDTHCZRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClNO4S2/c1-13-3-9-17(10-4-13)25(22,23)12-15(11-19-24(2,20)21)14-5-7-16(18)8-6-14/h3-10,15,19H,11-12H2,1-2H3.
What are the key properties of N-[2-(4-chlorophenyl)-3-(4-methylphenyl)sulfonylpropyl]methanesulfonamide?
N-[2-(4-chlorophenyl)-3-(4-methylphenyl)sulfonylpropyl]methanesulfonamide has a molecular weight of 401.94 g/mol, XLogP of 2.76, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)-3-(4-methylphenyl)sulfonylpropyl]methanesulfonamide is sourced from PubChem (CID 15423595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).