5-chloro-N-ethyl-2-methoxy-4-methyl-N-(3-methylphenyl)benzenesulfonamide

C17H20ClNO3S — CID 66485815

IUPAC5-chloro-N-ethyl-2-methoxy-4-methyl-N-(3-methylphenyl)benzenesulfonamide
SMILESCCN(c1cccc(C)c1)S(=O)(=O)c1cc(Cl)c(C)cc1OC
InChIInChI=1S/C17H20ClNO3S/c1-5-19(14-8-6-7-12(2)9-14)23(20,21)17-11-15(18)13(3)10-16(17)22-4/h6-11H,5H2,1-4H3
InChIKeyKUTNKLGPEBNDKY-UHFFFAOYSA-N
MW353.87 g/mol
LogP4.18
Rot. Bonds5

About 5-chloro-N-ethyl-2-methoxy-4-methyl-N-(3-methylphenyl)benzenesulfonamide

5-chloro-N-ethyl-2-methoxy-4-methyl-N-(3-methylphenyl)benzenesulfonamide (PubChem CID 66485815) has the molecular formula C17H20ClNO3S and a molecular weight of 353.87 g/mol. Its IUPAC name is 5-chloro-N-ethyl-2-methoxy-4-methyl-N-(3-methylphenyl)benzenesulfonamide.

Molecular Properties

Compound Name5-chloro-N-ethyl-2-methoxy-4-methyl-N-(3-methylphenyl)benzenesulfonamide
PubChem CID66485815
Molecular FormulaC17H20ClNO3S
Molecular Weight353.87 g/mol
Exact Mass353.09
IUPAC Name5-chloro-N-ethyl-2-methoxy-4-methyl-N-(3-methylphenyl)benzenesulfonamide
SMILESCCN(c1cccc(C)c1)S(=O)(=O)c1cc(Cl)c(C)cc1OC
InChIInChI=1S/C17H20ClNO3S/c1-5-19(14-8-6-7-12(2)9-14)23(20,21)17-11-15(18)13(3)10-16(17)22-4/h6-11H,5H2,1-4H3
InChIKeyKUTNKLGPEBNDKY-UHFFFAOYSA-N
XLogP4.18
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.87
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-2-methoxy-4,5-dimethyl-N-phenylbenzenesulfonamide
CID 66485774
5-bromo-4-chloro-N-ethyl-N-(3-methylphenyl)thiophene-2-sulfonamide
CID 80578542
4-bromo-N-ethyl-2,5-dimethyl-N-(3-methylphenyl)benzenesulfonamide
CID 66485793
5-chloro-2-methoxy-N,N,4-trimethylbenzenesulfonamide
CID 934502
2,5-dichloro-N-ethyl-N-(3-methoxyphenyl)benzenesulfonamide
CID 100506731
3-tert-butyl-N-ethyl-1-methyl-N-(3-methylphenyl)pyrazole-4-sulfonamide
CID 42283584
N-ethyl-N-(3-fluorophenyl)-2,5-dimethoxybenzenesulfonamide
CID 60534153
N-ethyl-2,5-dimethoxy-N-phenylbenzenesulfonamide
CID 768929
5-amino-N-ethyl-N-(3-methylphenyl)-1H-pyrazole-4-sulfonamide
CID 61076203
4-bromo-N-ethyl-N-(3-methylphenyl)-2-(trifluoromethoxy)benzenesulfonamide
CID 3480168
2-(3-chloro-N-(2-methoxy-5-methylphenyl)sulfonyl-4-methylanilino)-N-(3-methoxyphenyl)-N-methylacetamide
CID 100797112
N-ethyl-4-(2-methylbutan-2-yl)-N-(3-methylphenyl)benzenesulfonamide
CID 3672777

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-ethyl-2-methoxy-4-methyl-N-(3-methylphenyl)benzenesulfonamide?
The IUPAC name of 5-chloro-N-ethyl-2-methoxy-4-methyl-N-(3-methylphenyl)benzenesulfonamide (CID 66485815) is 5-chloro-N-ethyl-2-methoxy-4-methyl-N-(3-methylphenyl)benzenesulfonamide.
What is the SMILES notation for 5-chloro-N-ethyl-2-methoxy-4-methyl-N-(3-methylphenyl)benzenesulfonamide?
The canonical SMILES for 5-chloro-N-ethyl-2-methoxy-4-methyl-N-(3-methylphenyl)benzenesulfonamide is CCN(c1cccc(C)c1)S(=O)(=O)c1cc(Cl)c(C)cc1OC.
What is the InChIKey of 5-chloro-N-ethyl-2-methoxy-4-methyl-N-(3-methylphenyl)benzenesulfonamide?
The InChIKey is KUTNKLGPEBNDKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClNO3S/c1-5-19(14-8-6-7-12(2)9-14)23(20,21)17-11-15(18)13(3)10-16(17)22-4/h6-11H,5H2,1-4H3.
What are the key properties of 5-chloro-N-ethyl-2-methoxy-4-methyl-N-(3-methylphenyl)benzenesulfonamide?
5-chloro-N-ethyl-2-methoxy-4-methyl-N-(3-methylphenyl)benzenesulfonamide has a molecular weight of 353.87 g/mol, XLogP of 4.18, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-ethyl-2-methoxy-4-methyl-N-(3-methylphenyl)benzenesulfonamide is sourced from PubChem (CID 66485815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).