N-(4-chloro-2-methylphenyl)-N-methylnaphthalene-2-sulfonamide

C18H16ClNO2S — CID 100532875

IUPACN-(4-chloro-2-methylphenyl)-N-methylnaphthalene-2-sulfonamide
SMILESCc1cc(Cl)ccc1N(C)S(=O)(=O)c1ccc2ccccc2c1
InChIInChI=1S/C18H16ClNO2S/c1-13-11-16(19)8-10-18(13)20(2)23(21,22)17-9-7-14-5-3-4-6-15(14)12-17/h3-12H,1-2H3
InChIKeyCXQMRWOJEYCYCB-UHFFFAOYSA-N
MW345.85 g/mol
LogP4.63
Rot. Bonds3

About N-(4-chloro-2-methylphenyl)-N-methylnaphthalene-2-sulfonamide

N-(4-chloro-2-methylphenyl)-N-methylnaphthalene-2-sulfonamide (PubChem CID 100532875) has the molecular formula C18H16ClNO2S and a molecular weight of 345.85 g/mol. Its IUPAC name is N-(4-chloro-2-methylphenyl)-N-methylnaphthalene-2-sulfonamide.

Molecular Properties

Compound NameN-(4-chloro-2-methylphenyl)-N-methylnaphthalene-2-sulfonamide
PubChem CID100532875
Molecular FormulaC18H16ClNO2S
Molecular Weight345.85 g/mol
Exact Mass345.06
IUPAC NameN-(4-chloro-2-methylphenyl)-N-methylnaphthalene-2-sulfonamide
SMILESCc1cc(Cl)ccc1N(C)S(=O)(=O)c1ccc2ccccc2c1
InChIInChI=1S/C18H16ClNO2S/c1-13-11-16(19)8-10-18(13)20(2)23(21,22)17-9-7-14-5-3-4-6-15(14)12-17/h3-12H,1-2H3
InChIKeyCXQMRWOJEYCYCB-UHFFFAOYSA-N
XLogP4.63
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.85
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-N-(4-chloro-2-fluorophenyl)-N,3-dimethylbenzenesulfonamide
CID 167828829
2-(4-chlorophenyl)sulfonylnaphthalene
CID 2506576
N-(5-chloro-2-methylphenyl)-4-fluoro-N-methylbenzenesulfonamide
CID 100503345
5-[(2,4-dimethylphenyl)-methylsulfamoyl]-2-fluorobenzoic acid
CID 71890309
2-amino-N-(4-chloro-2-methylphenyl)-N-methylethanesulfonamide
CID 28793905
2-(N-(4-chlorophenyl)sulfonyl-3,4-dimethylanilino)-N-naphthalen-2-ylacetamide
CID 126139039
4-chloro-N-[4-[(4-chlorobenzoyl)-naphthalen-2-ylsulfonylamino]phenyl]-N-naphthalen-2-ylsulfonylbenzamide
CID 3436129
4-[(4-chlorophenyl)sulfonyl-methylamino]-3-methyl-N-(1-phenylethyl)benzamide
CID 132672717
N-(3-ethoxyphenyl)-N-methylnaphthalene-2-sulfonamide
CID 100535072
methyl 4,5-dimethoxy-2-[methyl(naphthalen-2-ylsulfonyl)amino]benzoate
CID 100535703
N-(3,5-dichlorophenyl)-2-[methyl(naphthalen-2-ylsulfonyl)amino]acetamide
CID 45375147
3-[(4-chlorophenyl)sulfonyl-methylamino]-4-methylbenzoic acid
CID 100553005

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-methylphenyl)-N-methylnaphthalene-2-sulfonamide?
The IUPAC name of N-(4-chloro-2-methylphenyl)-N-methylnaphthalene-2-sulfonamide (CID 100532875) is N-(4-chloro-2-methylphenyl)-N-methylnaphthalene-2-sulfonamide.
What is the SMILES notation for N-(4-chloro-2-methylphenyl)-N-methylnaphthalene-2-sulfonamide?
The canonical SMILES for N-(4-chloro-2-methylphenyl)-N-methylnaphthalene-2-sulfonamide is Cc1cc(Cl)ccc1N(C)S(=O)(=O)c1ccc2ccccc2c1.
What is the InChIKey of N-(4-chloro-2-methylphenyl)-N-methylnaphthalene-2-sulfonamide?
The InChIKey is CXQMRWOJEYCYCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClNO2S/c1-13-11-16(19)8-10-18(13)20(2)23(21,22)17-9-7-14-5-3-4-6-15(14)12-17/h3-12H,1-2H3.
What are the key properties of N-(4-chloro-2-methylphenyl)-N-methylnaphthalene-2-sulfonamide?
N-(4-chloro-2-methylphenyl)-N-methylnaphthalene-2-sulfonamide has a molecular weight of 345.85 g/mol, XLogP of 4.63, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-methylphenyl)-N-methylnaphthalene-2-sulfonamide is sourced from PubChem (CID 100532875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).