5-chloro-N-[(3,5-dimethoxyphenyl)methyl]-2-methoxybenzenesulfonamide

C16H18ClNO5S — CID 110672576

IUPAC5-chloro-N-[(3,5-dimethoxyphenyl)methyl]-2-methoxybenzenesulfonamide
SMILESCOc1cc(CNS(=O)(=O)c2cc(Cl)ccc2OC)cc(OC)c1
InChIInChI=1S/C16H18ClNO5S/c1-21-13-6-11(7-14(9-13)22-2)10-18-24(19,20)16-8-12(17)4-5-15(16)23-3/h4-9,18H,10H2,1-3H3
InChIKeyCVOKFKWKQIXMDU-UHFFFAOYSA-N
MW371.84 g/mol
LogP2.84
Rot. Bonds7

About 5-chloro-N-[(3,5-dimethoxyphenyl)methyl]-2-methoxybenzenesulfonamide

5-chloro-N-[(3,5-dimethoxyphenyl)methyl]-2-methoxybenzenesulfonamide (PubChem CID 110672576) has the molecular formula C16H18ClNO5S and a molecular weight of 371.84 g/mol. Its IUPAC name is 5-chloro-N-[(3,5-dimethoxyphenyl)methyl]-2-methoxybenzenesulfonamide.

Molecular Properties

Compound Name5-chloro-N-[(3,5-dimethoxyphenyl)methyl]-2-methoxybenzenesulfonamide
PubChem CID110672576
Molecular FormulaC16H18ClNO5S
Molecular Weight371.84 g/mol
Exact Mass371.06
IUPAC Name5-chloro-N-[(3,5-dimethoxyphenyl)methyl]-2-methoxybenzenesulfonamide
SMILESCOc1cc(CNS(=O)(=O)c2cc(Cl)ccc2OC)cc(OC)c1
InChIInChI=1S/C16H18ClNO5S/c1-21-13-6-11(7-14(9-13)22-2)10-18-24(19,20)16-8-12(17)4-5-15(16)23-3/h4-9,18H,10H2,1-3H3
InChIKeyCVOKFKWKQIXMDU-UHFFFAOYSA-N
XLogP2.84
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.84
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-chloro-N-[(3,5-dimethoxyphenyl)methyl]-2-methoxybenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-chloro-N-[(3,5-dimethylphenyl)methyl]-2-methoxybenzenesulfonamide
CID 3716409
N-benzyl-5-chloro-2-methoxybenzenesulfonamide
CID 801444
5-chloro-N-[(3-chlorophenyl)methyl]-2-methoxybenzenesulfonamide
CID 25045685
5-chloro-N-[(3-iodophenyl)methyl]-2-methoxybenzenesulfonamide
CID 5017100
5-chloro-2-methoxy-N-[[4-(trifluoromethyl)phenyl]methyl]benzenesulfonamide
CID 4982528
5-(aminomethyl)-N-[(4-chlorophenyl)methyl]-2-methoxybenzenesulfonamide
CID 141351209
5-chloro-2-methoxy-N-propylbenzenesulfonamide
CID 2234484
5-chloro-2-methoxy-N-[[3-(trifluoromethyl)phenyl]methyl]benzenesulfonamide
CID 3794261
5-chloro-N-[[4-(furan-3-yl)phenyl]methyl]-2-methoxybenzenesulfonamide
CID 119103357
5-chloro-N-(furan-2-ylmethyl)-2-methoxybenzenesulfonamide
CID 686051
5-chloro-N-(2-hydroxy-2-methylpropyl)-2-methoxybenzenesulfonamide
CID 110287793
5-chloro-N-(cyclohexylmethyl)-2-methoxybenzenesulfonamide
CID 100566408

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(3,5-dimethoxyphenyl)methyl]-2-methoxybenzenesulfonamide?
The IUPAC name of 5-chloro-N-[(3,5-dimethoxyphenyl)methyl]-2-methoxybenzenesulfonamide (CID 110672576) is 5-chloro-N-[(3,5-dimethoxyphenyl)methyl]-2-methoxybenzenesulfonamide.
What is the SMILES notation for 5-chloro-N-[(3,5-dimethoxyphenyl)methyl]-2-methoxybenzenesulfonamide?
The canonical SMILES for 5-chloro-N-[(3,5-dimethoxyphenyl)methyl]-2-methoxybenzenesulfonamide is COc1cc(CNS(=O)(=O)c2cc(Cl)ccc2OC)cc(OC)c1.
What is the InChIKey of 5-chloro-N-[(3,5-dimethoxyphenyl)methyl]-2-methoxybenzenesulfonamide?
The InChIKey is CVOKFKWKQIXMDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClNO5S/c1-21-13-6-11(7-14(9-13)22-2)10-18-24(19,20)16-8-12(17)4-5-15(16)23-3/h4-9,18H,10H2,1-3H3.
What are the key properties of 5-chloro-N-[(3,5-dimethoxyphenyl)methyl]-2-methoxybenzenesulfonamide?
5-chloro-N-[(3,5-dimethoxyphenyl)methyl]-2-methoxybenzenesulfonamide has a molecular weight of 371.84 g/mol, XLogP of 2.84, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(3,5-dimethoxyphenyl)methyl]-2-methoxybenzenesulfonamide is sourced from PubChem (CID 110672576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).