N-(4-chlorophenyl)sulfonyl-N-(2,5-dimethylphenyl)naphthalene-1-carboxamide

C25H20ClNO3S — CID 19220313

IUPACN-(4-chlorophenyl)sulfonyl-N-(2,5-dimethylphenyl)naphthalene-1-carboxamide
SMILESCc1ccc(C)c(N(C(=O)c2cccc3ccccc23)S(=O)(=O)c2ccc(Cl)cc2)c1
InChIInChI=1S/C25H20ClNO3S/c1-17-10-11-18(2)24(16-17)27(31(29,30)21-14-12-20(26)13-15-21)25(28)23-9-5-7-19-6-3-4-8-22(19)23/h3-16H,1-2H3
InChIKeyJUMOOJQSJCYFCZ-UHFFFAOYSA-N
MW449.96 g/mol
LogP6.15
Rot. Bonds4

About N-(4-chlorophenyl)sulfonyl-N-(2,5-dimethylphenyl)naphthalene-1-carboxamide

N-(4-chlorophenyl)sulfonyl-N-(2,5-dimethylphenyl)naphthalene-1-carboxamide (PubChem CID 19220313) has the molecular formula C25H20ClNO3S and a molecular weight of 449.96 g/mol. Its IUPAC name is N-(4-chlorophenyl)sulfonyl-N-(2,5-dimethylphenyl)naphthalene-1-carboxamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)sulfonyl-N-(2,5-dimethylphenyl)naphthalene-1-carboxamide
PubChem CID19220313
Molecular FormulaC25H20ClNO3S
Molecular Weight449.96 g/mol
Exact Mass449.09
IUPAC NameN-(4-chlorophenyl)sulfonyl-N-(2,5-dimethylphenyl)naphthalene-1-carboxamide
SMILESCc1ccc(C)c(N(C(=O)c2cccc3ccccc23)S(=O)(=O)c2ccc(Cl)cc2)c1
InChIInChI=1S/C25H20ClNO3S/c1-17-10-11-18(2)24(16-17)27(31(29,30)21-14-12-20(26)13-15-21)25(28)23-9-5-7-19-6-3-4-8-22(19)23/h3-16H,1-2H3
InChIKeyJUMOOJQSJCYFCZ-UHFFFAOYSA-N
XLogP6.15
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.96
LogP ≤ 56.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-(4-chlorophenyl)sulfonyl-N-(2,5-dimethylphenyl)benzamide
CID 19210700
N-(4-chlorophenyl)sulfonyl-N-(2,5-dimethylphenyl)-2-nitrobenzamide
CID 19211584
N-(4-chlorophenyl)sulfonyl-N-(2,5-dimethylphenyl)benzamide
CID 19210622
N-(benzenesulfonyl)-2-chloro-N-(2,5-dimethylphenyl)benzamide
CID 19210699
N-(4-chlorophenyl)sulfonyl-N-(2,5-dimethylphenyl)-4-methylbenzamide
CID 19210994
N-(4-chlorophenyl)sulfonyl-N-(2,5-dimethylphenyl)furan-2-carboxamide
CID 19210451
2-chloro-N-(4-chlorophenyl)sulfonyl-N-(2,5-dimethylphenyl)-5-nitrobenzamide
CID 19211287
N-(4-chlorophenyl)sulfonyl-N-(2,5-dimethylphenyl)pentanamide
CID 19210421
N-(4-chlorophenyl)sulfonyl-N-(2,5-dimethylphenyl)-4-phenoxybutanamide
CID 19218621
N-(benzenesulfonyl)-N-(2,5-dimethylphenyl)-4-methylbenzamide
CID 19210993
N-(4-chlorophenyl)sulfonyl-N-(2,5-dimethylphenyl)-4-(3-methylphenoxy)butanamide
CID 19218729
N-(4-chlorophenyl)sulfonyl-N-(2,5-dimethylphenyl)-2-[4-(2-phenylpropan-2-yl)phenoxy]acetamide
CID 19218271

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)sulfonyl-N-(2,5-dimethylphenyl)naphthalene-1-carboxamide?
The IUPAC name of N-(4-chlorophenyl)sulfonyl-N-(2,5-dimethylphenyl)naphthalene-1-carboxamide (CID 19220313) is N-(4-chlorophenyl)sulfonyl-N-(2,5-dimethylphenyl)naphthalene-1-carboxamide.
What is the SMILES notation for N-(4-chlorophenyl)sulfonyl-N-(2,5-dimethylphenyl)naphthalene-1-carboxamide?
The canonical SMILES for N-(4-chlorophenyl)sulfonyl-N-(2,5-dimethylphenyl)naphthalene-1-carboxamide is Cc1ccc(C)c(N(C(=O)c2cccc3ccccc23)S(=O)(=O)c2ccc(Cl)cc2)c1.
What is the InChIKey of N-(4-chlorophenyl)sulfonyl-N-(2,5-dimethylphenyl)naphthalene-1-carboxamide?
The InChIKey is JUMOOJQSJCYFCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20ClNO3S/c1-17-10-11-18(2)24(16-17)27(31(29,30)21-14-12-20(26)13-15-21)25(28)23-9-5-7-19-6-3-4-8-22(19)23/h3-16H,1-2H3.
What are the key properties of N-(4-chlorophenyl)sulfonyl-N-(2,5-dimethylphenyl)naphthalene-1-carboxamide?
N-(4-chlorophenyl)sulfonyl-N-(2,5-dimethylphenyl)naphthalene-1-carboxamide has a molecular weight of 449.96 g/mol, XLogP of 6.15, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)sulfonyl-N-(2,5-dimethylphenyl)naphthalene-1-carboxamide is sourced from PubChem (CID 19220313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).