2-chloro-N,4-dimethyl-N-naphthalen-2-ylbenzenesulfonamide

C18H16ClNO2S — CID 24629182

IUPAC2-chloro-N,4-dimethyl-N-naphthalen-2-ylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(C)c2ccc3ccccc3c2)c(Cl)c1
InChIInChI=1S/C18H16ClNO2S/c1-13-7-10-18(17(19)11-13)23(21,22)20(2)16-9-8-14-5-3-4-6-15(14)12-16/h3-12H,1-2H3
InChIKeyOMAXTSZKUXHIPD-UHFFFAOYSA-N
MW345.85 g/mol
LogP4.63
Rot. Bonds3

About 2-chloro-N,4-dimethyl-N-naphthalen-2-ylbenzenesulfonamide

2-chloro-N,4-dimethyl-N-naphthalen-2-ylbenzenesulfonamide (PubChem CID 24629182) has the molecular formula C18H16ClNO2S and a molecular weight of 345.85 g/mol. Its IUPAC name is 2-chloro-N,4-dimethyl-N-naphthalen-2-ylbenzenesulfonamide.

Molecular Properties

Compound Name2-chloro-N,4-dimethyl-N-naphthalen-2-ylbenzenesulfonamide
PubChem CID24629182
Molecular FormulaC18H16ClNO2S
Molecular Weight345.85 g/mol
Exact Mass345.06
IUPAC Name2-chloro-N,4-dimethyl-N-naphthalen-2-ylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(C)c2ccc3ccccc3c2)c(Cl)c1
InChIInChI=1S/C18H16ClNO2S/c1-13-7-10-18(17(19)11-13)23(21,22)20(2)16-9-8-14-5-3-4-6-15(14)12-16/h3-12H,1-2H3
InChIKeyOMAXTSZKUXHIPD-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

Methyl[(4-methylphenyl)sulfonyl]-2-naphthylamine
CID 854268
4-[2-[3-Chloro-4-(dimethylamino)phenyl]-4,5-difluorophenyl]benzenesulfonamide
CID 9932045
N-(4-chlorophenyl)-N-[[4-(diethylamino)phenyl]methyl]-4-methylbenzenesulfonamide
CID 71584158
N-(4-chlorophenyl)-N-[[4-(diethylamino)phenyl]methyl]-4-propan-2-ylbenzenesulfonamide
CID 71584160
4-[2-[3-Chloro-4-(dimethylamino)phenyl]-3,4-difluorophenyl]benzenesulfonamide
CID 44394178
N-[(4-chlorophenyl)methyl]-N-[[4-(diethylamino)phenyl]methyl]-4-methylbenzenesulfonamide
CID 71623289
N-(4-chlorophenyl)-5-(dimethylamino)naphthalene-1-sulfonamide
CID 3847484
1-(p-Toluenesulfonamido)-6-chloronaphthalene
CID 284039
2,6-Mansyl chloride
CID 167712
Benzenesulfonamide, N,4-dimethyl-N-1-naphthalenyl-
CID 12853131
4-methyl-N-naphthalen-1-yl-N-prop-2-enylbenzenesulfonamide
CID 15621383
N-butyl-4-methyl-N-naphthalen-1-ylbenzenesulfonamide
CID 177638750

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N,4-dimethyl-N-naphthalen-2-ylbenzenesulfonamide?
The IUPAC name of 2-chloro-N,4-dimethyl-N-naphthalen-2-ylbenzenesulfonamide (CID 24629182) is 2-chloro-N,4-dimethyl-N-naphthalen-2-ylbenzenesulfonamide.
What is the SMILES notation for 2-chloro-N,4-dimethyl-N-naphthalen-2-ylbenzenesulfonamide?
The canonical SMILES for 2-chloro-N,4-dimethyl-N-naphthalen-2-ylbenzenesulfonamide is Cc1ccc(S(=O)(=O)N(C)c2ccc3ccccc3c2)c(Cl)c1.
What is the InChIKey of 2-chloro-N,4-dimethyl-N-naphthalen-2-ylbenzenesulfonamide?
The InChIKey is OMAXTSZKUXHIPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClNO2S/c1-13-7-10-18(17(19)11-13)23(21,22)20(2)16-9-8-14-5-3-4-6-15(14)12-16/h3-12H,1-2H3.
What are the key properties of 2-chloro-N,4-dimethyl-N-naphthalen-2-ylbenzenesulfonamide?
2-chloro-N,4-dimethyl-N-naphthalen-2-ylbenzenesulfonamide 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 2-chloro-N,4-dimethyl-N-naphthalen-2-ylbenzenesulfonamide is sourced from PubChem (CID 24629182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).