4-chloro-N-[(3,4-dimethoxyphenyl)methyl]-N-ethylbenzenesulfonamide

C17H20ClNO4S — CID 8801231

IUPAC4-chloro-N-[(3,4-dimethoxyphenyl)methyl]-N-ethylbenzenesulfonamide
SMILESCCN(Cc1ccc(OC)c(OC)c1)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C17H20ClNO4S/c1-4-19(24(20,21)15-8-6-14(18)7-9-15)12-13-5-10-16(22-2)17(11-13)23-3/h5-11H,4,12H2,1-3H3
InChIKeyDJIDHDNBMKLVJJ-UHFFFAOYSA-N
MW369.87 g/mol
LogP3.57
Rot. Bonds7

About 4-chloro-N-[(3,4-dimethoxyphenyl)methyl]-N-ethylbenzenesulfonamide

4-chloro-N-[(3,4-dimethoxyphenyl)methyl]-N-ethylbenzenesulfonamide (PubChem CID 8801231) has the molecular formula C17H20ClNO4S and a molecular weight of 369.87 g/mol. Its IUPAC name is 4-chloro-N-[(3,4-dimethoxyphenyl)methyl]-N-ethylbenzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-[(3,4-dimethoxyphenyl)methyl]-N-ethylbenzenesulfonamide
PubChem CID8801231
Molecular FormulaC17H20ClNO4S
Molecular Weight369.87 g/mol
Exact Mass369.08
IUPAC Name4-chloro-N-[(3,4-dimethoxyphenyl)methyl]-N-ethylbenzenesulfonamide
SMILESCCN(Cc1ccc(OC)c(OC)c1)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C17H20ClNO4S/c1-4-19(24(20,21)15-8-6-14(18)7-9-15)12-13-5-10-16(22-2)17(11-13)23-3/h5-11H,4,12H2,1-3H3
InChIKeyDJIDHDNBMKLVJJ-UHFFFAOYSA-N
XLogP3.57
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.87
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3,4-dimethoxyphenyl)methyl]-N,4-diethylbenzenesulfonamide
CID 8801363
4-chloro-N-[(3,4-dimethoxyphenyl)methyl]-N-[(2S)-2-(hydroxymethyl)-2-methylbutyl]benzenesulfonamide
CID 69475108
4-chloro-N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-2-fluorobenzenesulfonamide
CID 8801326
N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-4-fluoro-3-nitrobenzenesulfonamide
CID 8801352
N-[(4-ethoxy-3-methoxyphenyl)methyl]-N-ethyl-4-methylbenzenesulfonamide
CID 30173555
4-chloro-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-[(4-fluorophenyl)methyl]benzenesulfonamide
CID 18207405
2-[(4-chlorophenyl)methyl-(4-chlorophenyl)sulfonylamino]-N-[(3,4-dimethoxyphenyl)methyl]acetamide
CID 28544909
4-bromo-2,6-dichloro-N-[(3,4-dimethoxyphenyl)methyl]-N-ethylbenzenesulfonamide
CID 60594986
N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-1,3-dioxoisoindole-5-sulfonamide
CID 56561819
N-ethyl-3,4-dimethoxy-N-[(3-methylphenyl)methyl]benzenesulfonamide
CID 3785219
2-[(4-bromophenyl)sulfonyl-[(4-chlorophenyl)methyl]amino]-N-[(3,4-dimethoxyphenyl)methyl]acetamide
CID 43872181
1-[[4-(diethylsulfamoyl)phenyl]methyl]-3-[(3,4-dimethoxyphenyl)methyl]urea
CID 38168942

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(3,4-dimethoxyphenyl)methyl]-N-ethylbenzenesulfonamide?
The IUPAC name of 4-chloro-N-[(3,4-dimethoxyphenyl)methyl]-N-ethylbenzenesulfonamide (CID 8801231) is 4-chloro-N-[(3,4-dimethoxyphenyl)methyl]-N-ethylbenzenesulfonamide.
What is the SMILES notation for 4-chloro-N-[(3,4-dimethoxyphenyl)methyl]-N-ethylbenzenesulfonamide?
The canonical SMILES for 4-chloro-N-[(3,4-dimethoxyphenyl)methyl]-N-ethylbenzenesulfonamide is CCN(Cc1ccc(OC)c(OC)c1)S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[(3,4-dimethoxyphenyl)methyl]-N-ethylbenzenesulfonamide?
The InChIKey is DJIDHDNBMKLVJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClNO4S/c1-4-19(24(20,21)15-8-6-14(18)7-9-15)12-13-5-10-16(22-2)17(11-13)23-3/h5-11H,4,12H2,1-3H3.
What are the key properties of 4-chloro-N-[(3,4-dimethoxyphenyl)methyl]-N-ethylbenzenesulfonamide?
4-chloro-N-[(3,4-dimethoxyphenyl)methyl]-N-ethylbenzenesulfonamide has a molecular weight of 369.87 g/mol, XLogP of 3.57, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(3,4-dimethoxyphenyl)methyl]-N-ethylbenzenesulfonamide is sourced from PubChem (CID 8801231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).