4-chloro-N-(3,5-dimethylphenyl)-3-ethoxybenzenesulfonamide

C16H18ClNO3S — CID 850112

IUPAC4-chloro-N-(3,5-dimethylphenyl)-3-ethoxybenzenesulfonamide
SMILESCCOc1cc(S(=O)(=O)Nc2cc(C)cc(C)c2)ccc1Cl
InChIInChI=1S/C16H18ClNO3S/c1-4-21-16-10-14(5-6-15(16)17)22(19,20)18-13-8-11(2)7-12(3)9-13/h5-10,18H,4H2,1-3H3
InChIKeyBZFHCCUOODLDPH-UHFFFAOYSA-N
MW339.84 g/mol
LogP4.16
Rot. Bonds5

About 4-chloro-N-(3,5-dimethylphenyl)-3-ethoxybenzenesulfonamide

4-chloro-N-(3,5-dimethylphenyl)-3-ethoxybenzenesulfonamide (PubChem CID 850112) has the molecular formula C16H18ClNO3S and a molecular weight of 339.84 g/mol. Its IUPAC name is 4-chloro-N-(3,5-dimethylphenyl)-3-ethoxybenzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-(3,5-dimethylphenyl)-3-ethoxybenzenesulfonamide
PubChem CID850112
Molecular FormulaC16H18ClNO3S
Molecular Weight339.84 g/mol
Exact Mass339.07
IUPAC Name4-chloro-N-(3,5-dimethylphenyl)-3-ethoxybenzenesulfonamide
SMILESCCOc1cc(S(=O)(=O)Nc2cc(C)cc(C)c2)ccc1Cl
InChIInChI=1S/C16H18ClNO3S/c1-4-21-16-10-14(5-6-15(16)17)22(19,20)18-13-8-11(2)7-12(3)9-13/h5-10,18H,4H2,1-3H3
InChIKeyBZFHCCUOODLDPH-UHFFFAOYSA-N
XLogP4.16
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 ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(3,5-dimethylphenyl)-3-ethoxybenzenesulfonamide?
The IUPAC name of 4-chloro-N-(3,5-dimethylphenyl)-3-ethoxybenzenesulfonamide (CID 850112) is 4-chloro-N-(3,5-dimethylphenyl)-3-ethoxybenzenesulfonamide.
What is the SMILES notation for 4-chloro-N-(3,5-dimethylphenyl)-3-ethoxybenzenesulfonamide?
The canonical SMILES for 4-chloro-N-(3,5-dimethylphenyl)-3-ethoxybenzenesulfonamide is CCOc1cc(S(=O)(=O)Nc2cc(C)cc(C)c2)ccc1Cl.
What is the InChIKey of 4-chloro-N-(3,5-dimethylphenyl)-3-ethoxybenzenesulfonamide?
The InChIKey is BZFHCCUOODLDPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClNO3S/c1-4-21-16-10-14(5-6-15(16)17)22(19,20)18-13-8-11(2)7-12(3)9-13/h5-10,18H,4H2,1-3H3.
What are the key properties of 4-chloro-N-(3,5-dimethylphenyl)-3-ethoxybenzenesulfonamide?
4-chloro-N-(3,5-dimethylphenyl)-3-ethoxybenzenesulfonamide has a molecular weight of 339.84 g/mol, XLogP of 4.16, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(3,5-dimethylphenyl)-3-ethoxybenzenesulfonamide is sourced from PubChem (CID 850112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).