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

C16H18ClNO3S — CID 3716409

IUPAC5-chloro-N-[(3,5-dimethylphenyl)methyl]-2-methoxybenzenesulfonamide
SMILESCOc1ccc(Cl)cc1S(=O)(=O)NCc1cc(C)cc(C)c1
InChIInChI=1S/C16H18ClNO3S/c1-11-6-12(2)8-13(7-11)10-18-22(19,20)16-9-14(17)4-5-15(16)21-3/h4-9,18H,10H2,1-3H3
InChIKeyKUAICFMXYUQEHD-UHFFFAOYSA-N
MW339.84 g/mol
LogP3.44
Rot. Bonds5

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

5-chloro-N-[(3,5-dimethylphenyl)methyl]-2-methoxybenzenesulfonamide (PubChem CID 3716409) has the molecular formula C16H18ClNO3S and a molecular weight of 339.84 g/mol. Its IUPAC name is 5-chloro-N-[(3,5-dimethylphenyl)methyl]-2-methoxybenzenesulfonamide.

Molecular Properties

Compound Name5-chloro-N-[(3,5-dimethylphenyl)methyl]-2-methoxybenzenesulfonamide
PubChem CID3716409
Molecular FormulaC16H18ClNO3S
Molecular Weight339.84 g/mol
Exact Mass339.07
IUPAC Name5-chloro-N-[(3,5-dimethylphenyl)methyl]-2-methoxybenzenesulfonamide
SMILESCOc1ccc(Cl)cc1S(=O)(=O)NCc1cc(C)cc(C)c1
InChIInChI=1S/C16H18ClNO3S/c1-11-6-12(2)8-13(7-11)10-18-22(19,20)16-9-14(17)4-5-15(16)21-3/h4-9,18H,10H2,1-3H3
InChIKeyKUAICFMXYUQEHD-UHFFFAOYSA-N
XLogP3.44
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.84
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-N-[(3,5-dimethoxyphenyl)methyl]-2-methoxybenzenesulfonamide
CID 110672576
N-benzyl-5-chloro-2-methoxybenzenesulfonamide
CID 801444
5-chloro-N-[(3-chlorophenyl)methyl]-2-methoxybenzenesulfonamide
CID 25045685
5-bromo-N-[(3,5-dimethylphenyl)methyl]-2-methoxybenzenesulfonamide
CID 25047268
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

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(3,5-dimethylphenyl)methyl]-2-methoxybenzenesulfonamide?
The IUPAC name of 5-chloro-N-[(3,5-dimethylphenyl)methyl]-2-methoxybenzenesulfonamide (CID 3716409) is 5-chloro-N-[(3,5-dimethylphenyl)methyl]-2-methoxybenzenesulfonamide.
What is the SMILES notation for 5-chloro-N-[(3,5-dimethylphenyl)methyl]-2-methoxybenzenesulfonamide?
The canonical SMILES for 5-chloro-N-[(3,5-dimethylphenyl)methyl]-2-methoxybenzenesulfonamide is COc1ccc(Cl)cc1S(=O)(=O)NCc1cc(C)cc(C)c1.
What is the InChIKey of 5-chloro-N-[(3,5-dimethylphenyl)methyl]-2-methoxybenzenesulfonamide?
The InChIKey is KUAICFMXYUQEHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClNO3S/c1-11-6-12(2)8-13(7-11)10-18-22(19,20)16-9-14(17)4-5-15(16)21-3/h4-9,18H,10H2,1-3H3.
What are the key properties of 5-chloro-N-[(3,5-dimethylphenyl)methyl]-2-methoxybenzenesulfonamide?
5-chloro-N-[(3,5-dimethylphenyl)methyl]-2-methoxybenzenesulfonamide has a molecular weight of 339.84 g/mol, XLogP of 3.44, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(3,5-dimethylphenyl)methyl]-2-methoxybenzenesulfonamide is sourced from PubChem (CID 3716409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).