3-chloro-N-[2-[4-(methylsulfamoyl)anilino]-2-oxoethyl]benzamide

C16H16ClN3O4S — CID 9219617

IUPAC3-chloro-N-[2-[4-(methylsulfamoyl)anilino]-2-oxoethyl]benzamide
SMILESCNS(=O)(=O)c1ccc(NC(=O)CNC(=O)c2cccc(Cl)c2)cc1
InChIInChI=1S/C16H16ClN3O4S/c1-18-25(23,24)14-7-5-13(6-8-14)20-15(21)10-19-16(22)11-3-2-4-12(17)9-11/h2-9,18H,10H2,1H3,(H,19,22)(H,20,21)
InChIKeyBUBBVLHMBVIVRM-UHFFFAOYSA-N
MW381.84 g/mol
LogP1.62
Rot. Bonds6

About 3-chloro-N-[2-[4-(methylsulfamoyl)anilino]-2-oxoethyl]benzamide

3-chloro-N-[2-[4-(methylsulfamoyl)anilino]-2-oxoethyl]benzamide (PubChem CID 9219617) has the molecular formula C16H16ClN3O4S and a molecular weight of 381.84 g/mol. Its IUPAC name is 3-chloro-N-[2-[4-(methylsulfamoyl)anilino]-2-oxoethyl]benzamide.

Molecular Properties

Compound Name3-chloro-N-[2-[4-(methylsulfamoyl)anilino]-2-oxoethyl]benzamide
PubChem CID9219617
Molecular FormulaC16H16ClN3O4S
Molecular Weight381.84 g/mol
Exact Mass381.06
IUPAC Name3-chloro-N-[2-[4-(methylsulfamoyl)anilino]-2-oxoethyl]benzamide
SMILESCNS(=O)(=O)c1ccc(NC(=O)CNC(=O)c2cccc(Cl)c2)cc1
InChIInChI=1S/C16H16ClN3O4S/c1-18-25(23,24)14-7-5-13(6-8-14)20-15(21)10-19-16(22)11-3-2-4-12(17)9-11/h2-9,18H,10H2,1H3,(H,19,22)(H,20,21)
InChIKeyBUBBVLHMBVIVRM-UHFFFAOYSA-N
XLogP1.62
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.84
LogP ≤ 51.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-N-[2-oxo-2-(4-sulfamoylanilino)ethyl]benzamide
CID 9314380
3-chloro-N-[2-oxo-2-(4-propan-2-ylanilino)ethyl]benzamide
CID 24537992
3-chloro-N-[2-(3-methylanilino)-2-oxoethyl]benzamide
CID 772080
3-chloro-N-[2-[4-(cyclopropanecarbonylamino)anilino]-2-oxoethyl]benzamide
CID 26058931
3-chloro-N-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]benzamide
CID 9442489
3-chloro-N-[2-[3-(hydroxymethyl)anilino]-2-oxoethyl]benzamide
CID 47005544
3-chloro-N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]benzamide
CID 4940243
N-(3-chlorophenyl)-4-(methylsulfamoyl)benzamide
CID 34742954
N-[2-[4-(3-amino-3-oxopropoxy)anilino]-2-oxoethyl]-3-chlorobenzamide
CID 55839601
N-[2-[4-[(4-methylphenyl)sulfonylamino]anilino]-2-oxoethyl]-3-nitrobenzamide
CID 55346094
3-chloro-N-[2-(3-cyanoanilino)-2-oxoethyl]benzamide
CID 9245643
3-bromo-N-[4-(methylsulfamoyl)phenyl]benzamide
CID 9219664

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[2-[4-(methylsulfamoyl)anilino]-2-oxoethyl]benzamide?
The IUPAC name of 3-chloro-N-[2-[4-(methylsulfamoyl)anilino]-2-oxoethyl]benzamide (CID 9219617) is 3-chloro-N-[2-[4-(methylsulfamoyl)anilino]-2-oxoethyl]benzamide.
What is the SMILES notation for 3-chloro-N-[2-[4-(methylsulfamoyl)anilino]-2-oxoethyl]benzamide?
The canonical SMILES for 3-chloro-N-[2-[4-(methylsulfamoyl)anilino]-2-oxoethyl]benzamide is CNS(=O)(=O)c1ccc(NC(=O)CNC(=O)c2cccc(Cl)c2)cc1.
What is the InChIKey of 3-chloro-N-[2-[4-(methylsulfamoyl)anilino]-2-oxoethyl]benzamide?
The InChIKey is BUBBVLHMBVIVRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN3O4S/c1-18-25(23,24)14-7-5-13(6-8-14)20-15(21)10-19-16(22)11-3-2-4-12(17)9-11/h2-9,18H,10H2,1H3,(H,19,22)(H,20,21).
What are the key properties of 3-chloro-N-[2-[4-(methylsulfamoyl)anilino]-2-oxoethyl]benzamide?
3-chloro-N-[2-[4-(methylsulfamoyl)anilino]-2-oxoethyl]benzamide has a molecular weight of 381.84 g/mol, XLogP of 1.62, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[2-[4-(methylsulfamoyl)anilino]-2-oxoethyl]benzamide is sourced from PubChem (CID 9219617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).