N-[(3-chloro-4-methylphenyl)methyl]-3-methylbenzenesulfonamide

C15H16ClNO2S — CID 3714590

IUPACN-[(3-chloro-4-methylphenyl)methyl]-3-methylbenzenesulfonamide
SMILESCc1cccc(S(=O)(=O)NCc2ccc(C)c(Cl)c2)c1
InChIInChI=1S/C15H16ClNO2S/c1-11-4-3-5-14(8-11)20(18,19)17-10-13-7-6-12(2)15(16)9-13/h3-9,17H,10H2,1-2H3
InChIKeyUSSLOXLGCQOLHQ-UHFFFAOYSA-N
MW309.82 g/mol
LogP3.44
Rot. Bonds4

About N-[(3-chloro-4-methylphenyl)methyl]-3-methylbenzenesulfonamide

N-[(3-chloro-4-methylphenyl)methyl]-3-methylbenzenesulfonamide (PubChem CID 3714590) has the molecular formula C15H16ClNO2S and a molecular weight of 309.82 g/mol. Its IUPAC name is N-[(3-chloro-4-methylphenyl)methyl]-3-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(3-chloro-4-methylphenyl)methyl]-3-methylbenzenesulfonamide
PubChem CID3714590
Molecular FormulaC15H16ClNO2S
Molecular Weight309.82 g/mol
Exact Mass309.06
IUPAC NameN-[(3-chloro-4-methylphenyl)methyl]-3-methylbenzenesulfonamide
SMILESCc1cccc(S(=O)(=O)NCc2ccc(C)c(Cl)c2)c1
InChIInChI=1S/C15H16ClNO2S/c1-11-4-3-5-14(8-11)20(18,19)17-10-13-7-6-12(2)15(16)9-13/h3-9,17H,10H2,1-2H3
InChIKeyUSSLOXLGCQOLHQ-UHFFFAOYSA-N
XLogP3.44
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.82
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-chloro-N-[(3-chloro-4-methylphenyl)methyl]-4-methylbenzenesulfonamide
CID 3673362
N-[[4-(chloromethyl)phenyl]methyl]-3-methylbenzenesulfonamide
CID 107234034
N-[2-(3,4-dichlorophenyl)ethyl]-3-methylbenzenesulfonamide
CID 3687846
3-chloro-N-[(3-iodophenyl)methyl]-4-methylbenzenesulfonamide
CID 5017106
N-[[4-(hydroxymethyl)phenyl]methyl]-3-methylbenzenesulfonamide
CID 107232038
N-[(4-bromophenyl)methyl]-3-methylbenzenesulfonamide
CID 4994624
N-[(5-chloro-2-methylphenyl)methyl]-3-methylbenzenesulfonamide
CID 3596534
N-[[4-(2-aminoethyl)phenyl]methyl]-3-methylbenzenesulfonamide
CID 62502158
N-[(2,4-dichlorophenyl)methyl]-3-methylbenzenesulfonamide
CID 3369728
N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-3-methylbenzenesulfonamide
CID 105357704
3-[(3-chloro-4-methylphenyl)methylamino]-N-methylbenzenesulfonamide
CID 106816341
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-3-methylbenzenesulfonamide
CID 110787130

Frequently Asked Questions

What is the IUPAC name of N-[(3-chloro-4-methylphenyl)methyl]-3-methylbenzenesulfonamide?
The IUPAC name of N-[(3-chloro-4-methylphenyl)methyl]-3-methylbenzenesulfonamide (CID 3714590) is N-[(3-chloro-4-methylphenyl)methyl]-3-methylbenzenesulfonamide.
What is the SMILES notation for N-[(3-chloro-4-methylphenyl)methyl]-3-methylbenzenesulfonamide?
The canonical SMILES for N-[(3-chloro-4-methylphenyl)methyl]-3-methylbenzenesulfonamide is Cc1cccc(S(=O)(=O)NCc2ccc(C)c(Cl)c2)c1.
What is the InChIKey of N-[(3-chloro-4-methylphenyl)methyl]-3-methylbenzenesulfonamide?
The InChIKey is USSLOXLGCQOLHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClNO2S/c1-11-4-3-5-14(8-11)20(18,19)17-10-13-7-6-12(2)15(16)9-13/h3-9,17H,10H2,1-2H3.
What are the key properties of N-[(3-chloro-4-methylphenyl)methyl]-3-methylbenzenesulfonamide?
N-[(3-chloro-4-methylphenyl)methyl]-3-methylbenzenesulfonamide has a molecular weight of 309.82 g/mol, XLogP of 3.44, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chloro-4-methylphenyl)methyl]-3-methylbenzenesulfonamide is sourced from PubChem (CID 3714590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).