N-[(2-chlorophenyl)methyl]-4-methoxy-N-methylbenzenesulfonamide

C15H16ClNO3S — CID 7510019

IUPACN-[(2-chlorophenyl)methyl]-4-methoxy-N-methylbenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)N(C)Cc2ccccc2Cl)cc1
InChIInChI=1S/C15H16ClNO3S/c1-17(11-12-5-3-4-6-15(12)16)21(18,19)14-9-7-13(20-2)8-10-14/h3-10H,11H2,1-2H3
InChIKeyYQCVTPPLIJYQKX-UHFFFAOYSA-N
MW325.82 g/mol
LogP3.17
Rot. Bonds5

About N-[(2-chlorophenyl)methyl]-4-methoxy-N-methylbenzenesulfonamide

N-[(2-chlorophenyl)methyl]-4-methoxy-N-methylbenzenesulfonamide (PubChem CID 7510019) has the molecular formula C15H16ClNO3S and a molecular weight of 325.82 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-4-methoxy-N-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-4-methoxy-N-methylbenzenesulfonamide
PubChem CID7510019
Molecular FormulaC15H16ClNO3S
Molecular Weight325.82 g/mol
Exact Mass325.05
IUPAC NameN-[(2-chlorophenyl)methyl]-4-methoxy-N-methylbenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)N(C)Cc2ccccc2Cl)cc1
InChIInChI=1S/C15H16ClNO3S/c1-17(11-12-5-3-4-6-15(12)16)21(18,19)14-9-7-13(20-2)8-10-14/h3-10H,11H2,1-2H3
InChIKeyYQCVTPPLIJYQKX-UHFFFAOYSA-N
XLogP3.17
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.82
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-N-[(2-chlorophenyl)methyl]-4-methoxy-N-methylbenzenesulfonamide
CID 37497114
4-(bromomethyl)-N-[(2-chlorophenyl)methyl]-N-methylbenzenesulfonamide
CID 65482585
3-amino-N-[(2-chlorophenyl)methyl]-N-methylbenzenesulfonamide
CID 61105167
2-chloro-N-[(2-chlorophenyl)methyl]-N-methylbenzenesulfonamide
CID 7937774
4-bromo-N-[(2-chlorophenyl)methyl]-3-fluoro-N-methylbenzenesulfonamide
CID 103697187
N-[4-[(2-chlorophenyl)methyl-methylsulfamoyl]-2-methoxyphenyl]acetamide
CID 2664445
N-[(2-chlorophenyl)methyl]-2,3,5,6-tetrafluoro-4-methoxy-N-methylbenzenesulfonamide
CID 18191880
5,6-dichloro-N-[(2-chlorophenyl)methyl]-N-methylpyridine-3-sulfonamide
CID 64608949
4-methoxy-N-methyl-N-[(2-methyl-3-nitrophenyl)methyl]benzenesulfonamide
CID 60523296
4-methoxy-N-methyl-N-[(2,3,4-trimethoxyphenyl)methyl]benzenesulfonamide
CID 30328089
N-[(2-chlorophenyl)methyl]-N-methyl-2-(methylamino)pyrimidine-5-sulfonamide
CID 62152999
N-[(4-chlorophenyl)methyl]-2-[(2-chlorophenyl)methyl-(4-methoxyphenyl)sulfonylamino]acetamide
CID 71904798

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-4-methoxy-N-methylbenzenesulfonamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-4-methoxy-N-methylbenzenesulfonamide (CID 7510019) is N-[(2-chlorophenyl)methyl]-4-methoxy-N-methylbenzenesulfonamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-4-methoxy-N-methylbenzenesulfonamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-4-methoxy-N-methylbenzenesulfonamide is COc1ccc(S(=O)(=O)N(C)Cc2ccccc2Cl)cc1.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-4-methoxy-N-methylbenzenesulfonamide?
The InChIKey is YQCVTPPLIJYQKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClNO3S/c1-17(11-12-5-3-4-6-15(12)16)21(18,19)14-9-7-13(20-2)8-10-14/h3-10H,11H2,1-2H3.
What are the key properties of N-[(2-chlorophenyl)methyl]-4-methoxy-N-methylbenzenesulfonamide?
N-[(2-chlorophenyl)methyl]-4-methoxy-N-methylbenzenesulfonamide has a molecular weight of 325.82 g/mol, XLogP of 3.17, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-4-methoxy-N-methylbenzenesulfonamide is sourced from PubChem (CID 7510019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).