N-[(2-chlorophenyl)methyl]-3,4-dimethoxybenzenesulfonamide

C15H16ClNO4S — CID 888457

IUPACN-[(2-chlorophenyl)methyl]-3,4-dimethoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCc2ccccc2Cl)cc1OC
InChIInChI=1S/C15H16ClNO4S/c1-20-14-8-7-12(9-15(14)21-2)22(18,19)17-10-11-5-3-4-6-13(11)16/h3-9,17H,10H2,1-2H3
InChIKeyLQVNLKJBBRAEHF-UHFFFAOYSA-N
MW341.82 g/mol
LogP2.84
Rot. Bonds6

About N-[(2-chlorophenyl)methyl]-3,4-dimethoxybenzenesulfonamide

N-[(2-chlorophenyl)methyl]-3,4-dimethoxybenzenesulfonamide (PubChem CID 888457) has the molecular formula C15H16ClNO4S and a molecular weight of 341.82 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-3,4-dimethoxybenzenesulfonamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-3,4-dimethoxybenzenesulfonamide
PubChem CID888457
Molecular FormulaC15H16ClNO4S
Molecular Weight341.82 g/mol
Exact Mass341.05
IUPAC NameN-[(2-chlorophenyl)methyl]-3,4-dimethoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCc2ccccc2Cl)cc1OC
InChIInChI=1S/C15H16ClNO4S/c1-20-14-8-7-12(9-15(14)21-2)22(18,19)17-10-11-5-3-4-6-13(11)16/h3-9,17H,10H2,1-2H3
InChIKeyLQVNLKJBBRAEHF-UHFFFAOYSA-N
XLogP2.84
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.82
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-3,4-dimethoxybenzenesulfonamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-3,4-dimethoxybenzenesulfonamide (CID 888457) is N-[(2-chlorophenyl)methyl]-3,4-dimethoxybenzenesulfonamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-3,4-dimethoxybenzenesulfonamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-3,4-dimethoxybenzenesulfonamide is COc1ccc(S(=O)(=O)NCc2ccccc2Cl)cc1OC.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-3,4-dimethoxybenzenesulfonamide?
The InChIKey is LQVNLKJBBRAEHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClNO4S/c1-20-14-8-7-12(9-15(14)21-2)22(18,19)17-10-11-5-3-4-6-13(11)16/h3-9,17H,10H2,1-2H3.
What are the key properties of N-[(2-chlorophenyl)methyl]-3,4-dimethoxybenzenesulfonamide?
N-[(2-chlorophenyl)methyl]-3,4-dimethoxybenzenesulfonamide has a molecular weight of 341.82 g/mol, XLogP of 2.84, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-3,4-dimethoxybenzenesulfonamide is sourced from PubChem (CID 888457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).