2-chloro-N-[(6-methoxynaphthalen-2-yl)methyl]-4-methylbenzenesulfonamide

C19H18ClNO3S — CID 32681146

IUPAC2-chloro-N-[(6-methoxynaphthalen-2-yl)methyl]-4-methylbenzenesulfonamide
SMILESCOc1ccc2cc(CNS(=O)(=O)c3ccc(C)cc3Cl)ccc2c1
InChIInChI=1S/C19H18ClNO3S/c1-13-3-8-19(18(20)9-13)25(22,23)21-12-14-4-5-16-11-17(24-2)7-6-15(16)10-14/h3-11,21H,12H2,1-2H3
InChIKeyMWMUKNFHTMJWAU-UHFFFAOYSA-N
MW375.88 g/mol
LogP4.29
Rot. Bonds5

About 2-chloro-N-[(6-methoxynaphthalen-2-yl)methyl]-4-methylbenzenesulfonamide

2-chloro-N-[(6-methoxynaphthalen-2-yl)methyl]-4-methylbenzenesulfonamide (PubChem CID 32681146) has the molecular formula C19H18ClNO3S and a molecular weight of 375.88 g/mol. Its IUPAC name is 2-chloro-N-[(6-methoxynaphthalen-2-yl)methyl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound Name2-chloro-N-[(6-methoxynaphthalen-2-yl)methyl]-4-methylbenzenesulfonamide
PubChem CID32681146
Molecular FormulaC19H18ClNO3S
Molecular Weight375.88 g/mol
Exact Mass375.07
IUPAC Name2-chloro-N-[(6-methoxynaphthalen-2-yl)methyl]-4-methylbenzenesulfonamide
SMILESCOc1ccc2cc(CNS(=O)(=O)c3ccc(C)cc3Cl)ccc2c1
InChIInChI=1S/C19H18ClNO3S/c1-13-3-8-19(18(20)9-13)25(22,23)21-12-14-4-5-16-11-17(24-2)7-6-15(16)10-14/h3-11,21H,12H2,1-2H3
InChIKeyMWMUKNFHTMJWAU-UHFFFAOYSA-N
XLogP4.29
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.88
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-4-methoxy-N-(pyridin-4-ylmethyl)benzenesulfonamide
CID 110758794
2-chloro-N-(4-methoxyphenyl)-4-methylbenzenesulfonamide
CID 32672944
N-[(3,4-dichlorophenyl)methyl]-2,4-dimethoxybenzenesulfonamide
CID 17375973
3-chloro-N-[(6-methoxynaphthalen-2-yl)methyl]benzenesulfonamide
CID 46696278
4-chloro-2-fluoro-N-[(4-methoxyphenyl)methyl]benzenesulfonamide
CID 26948090
N-[(3,4-dichlorophenyl)methyl]-4-methoxybenzenesulfonamide
CID 897393
N-[(6-methoxynaphthalen-2-yl)methyl]propane-2-sulfonamide
CID 47371751
N-[(3,4-difluorophenyl)methyl]-4-methoxy-2-methylbenzenesulfonamide
CID 110781066
2,4-dichloro-5-[(4-methoxyphenyl)methylsulfamoyl]benzoate
CID 2119292
3-N-[(6-methoxynaphthalen-2-yl)methyl]benzene-1,3-disulfonamide
CID 31109957
2,6-dichloro-N-[(4-methoxyphenyl)methyl]benzenesulfonamide
CID 26948085
N-butyl-2-chloro-4-methoxybenzenesulfonamide
CID 110758761

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(6-methoxynaphthalen-2-yl)methyl]-4-methylbenzenesulfonamide?
The IUPAC name of 2-chloro-N-[(6-methoxynaphthalen-2-yl)methyl]-4-methylbenzenesulfonamide (CID 32681146) is 2-chloro-N-[(6-methoxynaphthalen-2-yl)methyl]-4-methylbenzenesulfonamide.
What is the SMILES notation for 2-chloro-N-[(6-methoxynaphthalen-2-yl)methyl]-4-methylbenzenesulfonamide?
The canonical SMILES for 2-chloro-N-[(6-methoxynaphthalen-2-yl)methyl]-4-methylbenzenesulfonamide is COc1ccc2cc(CNS(=O)(=O)c3ccc(C)cc3Cl)ccc2c1.
What is the InChIKey of 2-chloro-N-[(6-methoxynaphthalen-2-yl)methyl]-4-methylbenzenesulfonamide?
The InChIKey is MWMUKNFHTMJWAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClNO3S/c1-13-3-8-19(18(20)9-13)25(22,23)21-12-14-4-5-16-11-17(24-2)7-6-15(16)10-14/h3-11,21H,12H2,1-2H3.
What are the key properties of 2-chloro-N-[(6-methoxynaphthalen-2-yl)methyl]-4-methylbenzenesulfonamide?
2-chloro-N-[(6-methoxynaphthalen-2-yl)methyl]-4-methylbenzenesulfonamide has a molecular weight of 375.88 g/mol, XLogP of 4.29, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(6-methoxynaphthalen-2-yl)methyl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 32681146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).