3-chloro-N-[(6-methoxynaphthalen-2-yl)methyl]benzenesulfonamide

C18H16ClNO3S — CID 46696278

IUPAC3-chloro-N-[(6-methoxynaphthalen-2-yl)methyl]benzenesulfonamide
SMILESCOc1ccc2cc(CNS(=O)(=O)c3cccc(Cl)c3)ccc2c1
InChIInChI=1S/C18H16ClNO3S/c1-23-17-8-7-14-9-13(5-6-15(14)10-17)12-20-24(21,22)18-4-2-3-16(19)11-18/h2-11,20H,12H2,1H3
InChIKeyKOXXAWDONYAAEH-UHFFFAOYSA-N
MW361.85 g/mol
LogP3.98
Rot. Bonds5

About 3-chloro-N-[(6-methoxynaphthalen-2-yl)methyl]benzenesulfonamide

3-chloro-N-[(6-methoxynaphthalen-2-yl)methyl]benzenesulfonamide (PubChem CID 46696278) has the molecular formula C18H16ClNO3S and a molecular weight of 361.85 g/mol. Its IUPAC name is 3-chloro-N-[(6-methoxynaphthalen-2-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name3-chloro-N-[(6-methoxynaphthalen-2-yl)methyl]benzenesulfonamide
PubChem CID46696278
Molecular FormulaC18H16ClNO3S
Molecular Weight361.85 g/mol
Exact Mass361.05
IUPAC Name3-chloro-N-[(6-methoxynaphthalen-2-yl)methyl]benzenesulfonamide
SMILESCOc1ccc2cc(CNS(=O)(=O)c3cccc(Cl)c3)ccc2c1
InChIInChI=1S/C18H16ClNO3S/c1-23-17-8-7-14-9-13(5-6-15(14)10-17)12-20-24(21,22)18-4-2-3-16(19)11-18/h2-11,20H,12H2,1H3
InChIKeyKOXXAWDONYAAEH-UHFFFAOYSA-N
XLogP3.98
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.85
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-N-[(6-methoxynaphthalen-2-yl)methyl]benzene-1,3-disulfonamide
CID 31109957
N-[[4-(aminomethyl)phenyl]methyl]-3-chlorobenzenesulfonamide
CID 81090139
N-benzyl-3-chlorobenzenesulfonamide
CID 2405255
3-chloro-N-(1H-indol-6-ylmethyl)benzenesulfonamide
CID 169029479
N-[(3,4-dichlorophenyl)methyl]-4-methoxybenzenesulfonamide
CID 897393
3-chloro-4-fluoro-N-[(4-methoxyphenyl)methyl]benzenesulfonamide
CID 25039269
2-chloro-N-[(6-methoxynaphthalen-2-yl)methyl]-4-methylbenzenesulfonamide
CID 32681146
3-amino-N-[(3-methoxyphenyl)methyl]benzenesulfonamide
CID 61028648
N-[(6-methoxynaphthalen-2-yl)methyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide
CID 46696307
N-[2-methoxy-5-[(6-methoxynaphthalen-2-yl)methylsulfamoyl]phenyl]acetamide
CID 46696333
2,6-dichloro-N-[(4-methoxyphenyl)methyl]benzenesulfonamide
CID 26948085
3-chloro-N-[(2-methyl-1,3-benzoxazol-6-yl)methyl]benzenesulfonamide
CID 110785208

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[(6-methoxynaphthalen-2-yl)methyl]benzenesulfonamide?
The IUPAC name of 3-chloro-N-[(6-methoxynaphthalen-2-yl)methyl]benzenesulfonamide (CID 46696278) is 3-chloro-N-[(6-methoxynaphthalen-2-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 3-chloro-N-[(6-methoxynaphthalen-2-yl)methyl]benzenesulfonamide?
The canonical SMILES for 3-chloro-N-[(6-methoxynaphthalen-2-yl)methyl]benzenesulfonamide is COc1ccc2cc(CNS(=O)(=O)c3cccc(Cl)c3)ccc2c1.
What is the InChIKey of 3-chloro-N-[(6-methoxynaphthalen-2-yl)methyl]benzenesulfonamide?
The InChIKey is KOXXAWDONYAAEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClNO3S/c1-23-17-8-7-14-9-13(5-6-15(14)10-17)12-20-24(21,22)18-4-2-3-16(19)11-18/h2-11,20H,12H2,1H3.
What are the key properties of 3-chloro-N-[(6-methoxynaphthalen-2-yl)methyl]benzenesulfonamide?
3-chloro-N-[(6-methoxynaphthalen-2-yl)methyl]benzenesulfonamide has a molecular weight of 361.85 g/mol, XLogP of 3.98, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[(6-methoxynaphthalen-2-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 46696278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).