N-[4-chloro-2-(3-methoxyphenyl)phenyl]-4-methylbenzenesulfonamide

C20H18ClNO3S — CID 135075139

IUPACN-[4-chloro-2-(3-methoxyphenyl)phenyl]-4-methylbenzenesulfonamide
SMILESCOc1cccc(-c2cc(Cl)ccc2NS(=O)(=O)c2ccc(C)cc2)c1
InChIInChI=1S/C20H18ClNO3S/c1-14-6-9-18(10-7-14)26(23,24)22-20-11-8-16(21)13-19(20)15-4-3-5-17(12-15)25-2/h3-13,22H,1-2H3
InChIKeyIYYBSINIBNTXTK-UHFFFAOYSA-N
MW387.89 g/mol
LogP5.12
Rot. Bonds5

About N-[4-chloro-2-(3-methoxyphenyl)phenyl]-4-methylbenzenesulfonamide

N-[4-chloro-2-(3-methoxyphenyl)phenyl]-4-methylbenzenesulfonamide (PubChem CID 135075139) has the molecular formula C20H18ClNO3S and a molecular weight of 387.89 g/mol. Its IUPAC name is N-[4-chloro-2-(3-methoxyphenyl)phenyl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[4-chloro-2-(3-methoxyphenyl)phenyl]-4-methylbenzenesulfonamide
PubChem CID135075139
Molecular FormulaC20H18ClNO3S
Molecular Weight387.89 g/mol
Exact Mass387.07
IUPAC NameN-[4-chloro-2-(3-methoxyphenyl)phenyl]-4-methylbenzenesulfonamide
SMILESCOc1cccc(-c2cc(Cl)ccc2NS(=O)(=O)c2ccc(C)cc2)c1
InChIInChI=1S/C20H18ClNO3S/c1-14-6-9-18(10-7-14)26(23,24)22-20-11-8-16(21)13-19(20)15-4-3-5-17(12-15)25-2/h3-13,22H,1-2H3
InChIKeyIYYBSINIBNTXTK-UHFFFAOYSA-N
XLogP5.12
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.89
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(3-methoxyphenyl)-5-nitrophenyl]-4-methylbenzenesulfonamide
CID 139253973
4-bromo-N-[2-(3-methoxyphenyl)phenyl]benzenesulfonamide
CID 135086781
N-(5-methoxy-2-phenylphenyl)-4-methylbenzenesulfonamide
CID 169370137
N-(4-chloro-2-methylphenyl)-4-methoxybenzenesulfonamide
CID 4995778
N-[2-(3-bromo-5-hydroxyphenyl)-4-chlorophenyl]-4-methylbenzenesulfonamide
CID 171793731
4-chloro-N-(3-methoxyphenyl)benzenesulfonamide
CID 819759
4-chloro-N-(2-chloro-4-methoxyphenyl)benzenesulfonamide
CID 4994976
N-(5-methoxy-2-methylphenyl)-4-methylbenzenesulfonamide
CID 5146130
N-[2-[(4-chlorophenyl)sulfonylamino]-4-methylphenyl]-4-methylbenzenesulfonamide
CID 2796859
N-[2-(3-methoxyphenyl)-1,3-benzoxazol-5-yl]-4-methylbenzenesulfonamide
CID 17092623
N-(4-chloro-2-iodophenyl)-4-methoxybenzenesulfonamide
CID 103764001
N-[4-chloro-2-(chloromethyl)phenyl]-4-methylbenzenesulfonamide
CID 163288986

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-2-(3-methoxyphenyl)phenyl]-4-methylbenzenesulfonamide?
The IUPAC name of N-[4-chloro-2-(3-methoxyphenyl)phenyl]-4-methylbenzenesulfonamide (CID 135075139) is N-[4-chloro-2-(3-methoxyphenyl)phenyl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[4-chloro-2-(3-methoxyphenyl)phenyl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[4-chloro-2-(3-methoxyphenyl)phenyl]-4-methylbenzenesulfonamide is COc1cccc(-c2cc(Cl)ccc2NS(=O)(=O)c2ccc(C)cc2)c1.
What is the InChIKey of N-[4-chloro-2-(3-methoxyphenyl)phenyl]-4-methylbenzenesulfonamide?
The InChIKey is IYYBSINIBNTXTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClNO3S/c1-14-6-9-18(10-7-14)26(23,24)22-20-11-8-16(21)13-19(20)15-4-3-5-17(12-15)25-2/h3-13,22H,1-2H3.
What are the key properties of N-[4-chloro-2-(3-methoxyphenyl)phenyl]-4-methylbenzenesulfonamide?
N-[4-chloro-2-(3-methoxyphenyl)phenyl]-4-methylbenzenesulfonamide has a molecular weight of 387.89 g/mol, XLogP of 5.12, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-2-(3-methoxyphenyl)phenyl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 135075139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).