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

C15H15Cl2NO3S — CID 37497114

IUPAC3-chloro-N-[(2-chlorophenyl)methyl]-4-methoxy-N-methylbenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)N(C)Cc2ccccc2Cl)cc1Cl
InChIInChI=1S/C15H15Cl2NO3S/c1-18(10-11-5-3-4-6-13(11)16)22(19,20)12-7-8-15(21-2)14(17)9-12/h3-9H,10H2,1-2H3
InChIKeyKMHVXOMEBSGDCE-UHFFFAOYSA-N
MW360.26 g/mol
LogP3.82
Rot. Bonds5

About 3-chloro-N-[(2-chlorophenyl)methyl]-4-methoxy-N-methylbenzenesulfonamide

3-chloro-N-[(2-chlorophenyl)methyl]-4-methoxy-N-methylbenzenesulfonamide (PubChem CID 37497114) has the molecular formula C15H15Cl2NO3S and a molecular weight of 360.26 g/mol. Its IUPAC name is 3-chloro-N-[(2-chlorophenyl)methyl]-4-methoxy-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name3-chloro-N-[(2-chlorophenyl)methyl]-4-methoxy-N-methylbenzenesulfonamide
PubChem CID37497114
Molecular FormulaC15H15Cl2NO3S
Molecular Weight360.26 g/mol
Exact Mass359.01
IUPAC Name3-chloro-N-[(2-chlorophenyl)methyl]-4-methoxy-N-methylbenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)N(C)Cc2ccccc2Cl)cc1Cl
InChIInChI=1S/C15H15Cl2NO3S/c1-18(10-11-5-3-4-6-13(11)16)22(19,20)12-7-8-15(21-2)14(17)9-12/h3-9H,10H2,1-2H3
InChIKeyKMHVXOMEBSGDCE-UHFFFAOYSA-N
XLogP3.82
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.26
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-4-methoxy-N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]benzenesulfonamide
CID 55681731
N-[(2-chlorophenyl)methyl]-4-methoxy-N-methylbenzenesulfonamide
CID 7510019
N-[4-[(2-chlorophenyl)methyl-methylsulfamoyl]-2-methoxyphenyl]acetamide
CID 2664445
3-chloro-4-fluoro-N-[(2-fluorophenyl)methyl]-N-methylbenzenesulfonamide
CID 7937737
3-amino-N-[(2-chlorophenyl)methyl]-N-methylbenzenesulfonamide
CID 61105167
4-bromo-N-[(2-chlorophenyl)methyl]-3-fluoro-N-methylbenzenesulfonamide
CID 103697187
5,6-dichloro-N-[(2-chlorophenyl)methyl]-N-methylpyridine-3-sulfonamide
CID 64608949
3-bromo-N-[(2-fluorophenyl)methyl]-4-methoxy-N-methylbenzenesulfonamide
CID 30329135
4-(bromomethyl)-N-[(2-chlorophenyl)methyl]-N-methylbenzenesulfonamide
CID 65482585
N-[(5-bromothiophen-2-yl)methyl]-3-chloro-4-methoxy-N-methylbenzenesulfonamide
CID 37498744
5-[(2-chlorophenyl)methyl-methylsulfamoyl]-2-methylbenzamide
CID 34035463
N-[3-[(2-chlorophenyl)methyl-methylsulfamoyl]-4-methoxyphenyl]acetamide
CID 9320671

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[(2-chlorophenyl)methyl]-4-methoxy-N-methylbenzenesulfonamide?
The IUPAC name of 3-chloro-N-[(2-chlorophenyl)methyl]-4-methoxy-N-methylbenzenesulfonamide (CID 37497114) is 3-chloro-N-[(2-chlorophenyl)methyl]-4-methoxy-N-methylbenzenesulfonamide.
What is the SMILES notation for 3-chloro-N-[(2-chlorophenyl)methyl]-4-methoxy-N-methylbenzenesulfonamide?
The canonical SMILES for 3-chloro-N-[(2-chlorophenyl)methyl]-4-methoxy-N-methylbenzenesulfonamide is COc1ccc(S(=O)(=O)N(C)Cc2ccccc2Cl)cc1Cl.
What is the InChIKey of 3-chloro-N-[(2-chlorophenyl)methyl]-4-methoxy-N-methylbenzenesulfonamide?
The InChIKey is KMHVXOMEBSGDCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Cl2NO3S/c1-18(10-11-5-3-4-6-13(11)16)22(19,20)12-7-8-15(21-2)14(17)9-12/h3-9H,10H2,1-2H3.
What are the key properties of 3-chloro-N-[(2-chlorophenyl)methyl]-4-methoxy-N-methylbenzenesulfonamide?
3-chloro-N-[(2-chlorophenyl)methyl]-4-methoxy-N-methylbenzenesulfonamide has a molecular weight of 360.26 g/mol, XLogP of 3.82, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[(2-chlorophenyl)methyl]-4-methoxy-N-methylbenzenesulfonamide is sourced from PubChem (CID 37497114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).