4-chloro-3-methoxy-N-(2,4,6-trimethylphenyl)benzenesulfonamide

C16H18ClNO3S — CID 977153

IUPAC4-chloro-3-methoxy-N-(2,4,6-trimethylphenyl)benzenesulfonamide
SMILESCOc1cc(S(=O)(=O)Nc2c(C)cc(C)cc2C)ccc1Cl
InChIInChI=1S/C16H18ClNO3S/c1-10-7-11(2)16(12(3)8-10)18-22(19,20)13-5-6-14(17)15(9-13)21-4/h5-9,18H,1-4H3
InChIKeyLFQYZLJIGOUIKM-UHFFFAOYSA-N
MW339.84 g/mol
LogP4.07
Rot. Bonds4

About 4-chloro-3-methoxy-N-(2,4,6-trimethylphenyl)benzenesulfonamide

4-chloro-3-methoxy-N-(2,4,6-trimethylphenyl)benzenesulfonamide (PubChem CID 977153) has the molecular formula C16H18ClNO3S and a molecular weight of 339.84 g/mol. Its IUPAC name is 4-chloro-3-methoxy-N-(2,4,6-trimethylphenyl)benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-3-methoxy-N-(2,4,6-trimethylphenyl)benzenesulfonamide
PubChem CID977153
Molecular FormulaC16H18ClNO3S
Molecular Weight339.84 g/mol
Exact Mass339.07
IUPAC Name4-chloro-3-methoxy-N-(2,4,6-trimethylphenyl)benzenesulfonamide
SMILESCOc1cc(S(=O)(=O)Nc2c(C)cc(C)cc2C)ccc1Cl
InChIInChI=1S/C16H18ClNO3S/c1-10-7-11(2)16(12(3)8-10)18-22(19,20)13-5-6-14(17)15(9-13)21-4/h5-9,18H,1-4H3
InChIKeyLFQYZLJIGOUIKM-UHFFFAOYSA-N
XLogP4.07
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.84
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-methoxy-N-(2,4,6-trimethylphenyl)benzenesulfonamide
CID 743974
4-chloro-3-ethoxy-N-(2-ethylphenyl)benzenesulfonamide
CID 935496
4-chloro-3-methoxy-N-(2-methylphenyl)benzenesulfonamide
CID 1259343
N-(4-chloro-2,6-dimethylphenyl)-4-methoxybenzenesulfonamide
CID 118707083
N-(2,6-dimethyl-4-prop-2-enylphenyl)-4-methoxybenzenesulfonamide
CID 118707173
4-chloro-3-ethoxy-N-(4-ethylphenyl)benzenesulfonamide
CID 850111
4-chloro-N-(3,5-dimethylphenyl)-3-ethoxybenzenesulfonamide
CID 850112
3-methoxy-N-(2,4,6-trimethylphenyl)benzenesulfonamide
CID 91824000
2-methoxy-N-(2,4,6-trimethylphenyl)benzenesulfonamide
CID 118707170
US12065399, Example 27
CID 156068559
N-(3-Chloro-4-methoxyphenyl)-4-methylbenzenesulfonamide
CID 817619
4-chloro-N-(4-ethylphenyl)-2-methoxybenzenesulfonamide
CID 976918

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-methoxy-N-(2,4,6-trimethylphenyl)benzenesulfonamide?
The IUPAC name of 4-chloro-3-methoxy-N-(2,4,6-trimethylphenyl)benzenesulfonamide (CID 977153) is 4-chloro-3-methoxy-N-(2,4,6-trimethylphenyl)benzenesulfonamide.
What is the SMILES notation for 4-chloro-3-methoxy-N-(2,4,6-trimethylphenyl)benzenesulfonamide?
The canonical SMILES for 4-chloro-3-methoxy-N-(2,4,6-trimethylphenyl)benzenesulfonamide is COc1cc(S(=O)(=O)Nc2c(C)cc(C)cc2C)ccc1Cl.
What is the InChIKey of 4-chloro-3-methoxy-N-(2,4,6-trimethylphenyl)benzenesulfonamide?
The InChIKey is LFQYZLJIGOUIKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClNO3S/c1-10-7-11(2)16(12(3)8-10)18-22(19,20)13-5-6-14(17)15(9-13)21-4/h5-9,18H,1-4H3.
What are the key properties of 4-chloro-3-methoxy-N-(2,4,6-trimethylphenyl)benzenesulfonamide?
4-chloro-3-methoxy-N-(2,4,6-trimethylphenyl)benzenesulfonamide has a molecular weight of 339.84 g/mol, XLogP of 4.07, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-methoxy-N-(2,4,6-trimethylphenyl)benzenesulfonamide is sourced from PubChem (CID 977153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).