4-chloro-N-[1-(2,4-dimethoxyphenyl)ethyl]-3-sulfamoylbenzamide

C17H19ClN2O5S — CID 45054358

IUPAC4-chloro-N-[1-(2,4-dimethoxyphenyl)ethyl]-3-sulfamoylbenzamide
SMILESCOc1ccc(C(C)NC(=O)c2ccc(Cl)c(S(N)(=O)=O)c2)c(OC)c1
InChIInChI=1S/C17H19ClN2O5S/c1-10(13-6-5-12(24-2)9-15(13)25-3)20-17(21)11-4-7-14(18)16(8-11)26(19,22)23/h4-10H,1-3H3,(H,20,21)(H2,19,22,23)
InChIKeyVFDBJISGINGYEN-UHFFFAOYSA-N
MW398.87 g/mol
LogP2.50
Rot. Bonds6

About 4-chloro-N-[1-(2,4-dimethoxyphenyl)ethyl]-3-sulfamoylbenzamide

4-chloro-N-[1-(2,4-dimethoxyphenyl)ethyl]-3-sulfamoylbenzamide (PubChem CID 45054358) has the molecular formula C17H19ClN2O5S and a molecular weight of 398.87 g/mol. Its IUPAC name is 4-chloro-N-[1-(2,4-dimethoxyphenyl)ethyl]-3-sulfamoylbenzamide.

Molecular Properties

Compound Name4-chloro-N-[1-(2,4-dimethoxyphenyl)ethyl]-3-sulfamoylbenzamide
PubChem CID45054358
Molecular FormulaC17H19ClN2O5S
Molecular Weight398.87 g/mol
Exact Mass398.07
IUPAC Name4-chloro-N-[1-(2,4-dimethoxyphenyl)ethyl]-3-sulfamoylbenzamide
SMILESCOc1ccc(C(C)NC(=O)c2ccc(Cl)c(S(N)(=O)=O)c2)c(OC)c1
InChIInChI=1S/C17H19ClN2O5S/c1-10(13-6-5-12(24-2)9-15(13)25-3)20-17(21)11-4-7-14(18)16(8-11)26(19,22)23/h4-10H,1-3H3,(H,20,21)(H2,19,22,23)
InChIKeyVFDBJISGINGYEN-UHFFFAOYSA-N
XLogP2.50
TPSA107.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.87
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-chloro-N-[1-(2,4-dimethoxyphenyl)ethyl]-3-sulfamoylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-chloro-N-[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]-3-sulfamoylbenzamide
CID 9262498
N-[1-(2,4-dimethoxyphenyl)ethyl]-3-(dimethylsulfamoyl)-4-methoxybenzamide
CID 55579730
methyl 4-[[(1R)-1-(2,4-dimethoxyphenyl)ethyl]carbamoyl]benzoate
CID 94045094
6-chloro-N-[1-(2,4-dimethoxyphenyl)ethyl]pyridine-3-carboxamide
CID 134053626
N-[1-(2,5-dimethoxyphenyl)ethyl]-4-sulfamoylbenzamide
CID 55408572
N-[1-(2,4-dimethoxyphenyl)ethyl]-4-ethyl-3-morpholin-4-ylsulfonylbenzamide
CID 55579646
3-(azepan-1-ylsulfonyl)-4-chloro-N-[(1R)-1-(2-methoxyphenyl)ethyl]benzamide
CID 26883024
4-chloro-N-(1-methoxy-3-methylbutan-2-yl)-3-sulfamoylbenzamide
CID 65381406
N-[1-(2,4-dimethoxyphenyl)ethyl]-1H-pyrazole-4-carboxamide
CID 60968183
N-[1-(2,4-dimethoxyphenyl)ethyl]-3-pyrrolidin-1-ylsulfonylbenzamide
CID 55579424
N-[1-(2,4-dimethoxyphenyl)ethyl]-4-(prop-2-ynylsulfamoyl)benzamide
CID 55580165
2-(3,4-dichlorophenyl)-N-[1-(2,4-dimethoxyphenyl)ethyl]acetamide
CID 55580869

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[1-(2,4-dimethoxyphenyl)ethyl]-3-sulfamoylbenzamide?
The IUPAC name of 4-chloro-N-[1-(2,4-dimethoxyphenyl)ethyl]-3-sulfamoylbenzamide (CID 45054358) is 4-chloro-N-[1-(2,4-dimethoxyphenyl)ethyl]-3-sulfamoylbenzamide.
What is the SMILES notation for 4-chloro-N-[1-(2,4-dimethoxyphenyl)ethyl]-3-sulfamoylbenzamide?
The canonical SMILES for 4-chloro-N-[1-(2,4-dimethoxyphenyl)ethyl]-3-sulfamoylbenzamide is COc1ccc(C(C)NC(=O)c2ccc(Cl)c(S(N)(=O)=O)c2)c(OC)c1.
What is the InChIKey of 4-chloro-N-[1-(2,4-dimethoxyphenyl)ethyl]-3-sulfamoylbenzamide?
The InChIKey is VFDBJISGINGYEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O5S/c1-10(13-6-5-12(24-2)9-15(13)25-3)20-17(21)11-4-7-14(18)16(8-11)26(19,22)23/h4-10H,1-3H3,(H,20,21)(H2,19,22,23).
What are the key properties of 4-chloro-N-[1-(2,4-dimethoxyphenyl)ethyl]-3-sulfamoylbenzamide?
4-chloro-N-[1-(2,4-dimethoxyphenyl)ethyl]-3-sulfamoylbenzamide has a molecular weight of 398.87 g/mol, XLogP of 2.50, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[1-(2,4-dimethoxyphenyl)ethyl]-3-sulfamoylbenzamide is sourced from PubChem (CID 45054358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).