3-[(3-chloro-4-fluorophenyl)sulfamoyl]-N-propan-2-ylbenzamide

C16H16ClFN2O3S — CID 109062198

IUPAC3-[(3-chloro-4-fluorophenyl)sulfamoyl]-N-propan-2-ylbenzamide
SMILESCC(C)NC(=O)c1cccc(S(=O)(=O)Nc2ccc(F)c(Cl)c2)c1
InChIInChI=1S/C16H16ClFN2O3S/c1-10(2)19-16(21)11-4-3-5-13(8-11)24(22,23)20-12-6-7-15(18)14(17)9-12/h3-10,20H,1-2H3,(H,19,21)
InChIKeyIIWGLZYJDCNGQJ-UHFFFAOYSA-N
MW370.83 g/mol
LogP3.42
Rot. Bonds5

About 3-[(3-chloro-4-fluorophenyl)sulfamoyl]-N-propan-2-ylbenzamide

3-[(3-chloro-4-fluorophenyl)sulfamoyl]-N-propan-2-ylbenzamide (PubChem CID 109062198) has the molecular formula C16H16ClFN2O3S and a molecular weight of 370.83 g/mol. Its IUPAC name is 3-[(3-chloro-4-fluorophenyl)sulfamoyl]-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name3-[(3-chloro-4-fluorophenyl)sulfamoyl]-N-propan-2-ylbenzamide
PubChem CID109062198
Molecular FormulaC16H16ClFN2O3S
Molecular Weight370.83 g/mol
Exact Mass370.06
IUPAC Name3-[(3-chloro-4-fluorophenyl)sulfamoyl]-N-propan-2-ylbenzamide
SMILESCC(C)NC(=O)c1cccc(S(=O)(=O)Nc2ccc(F)c(Cl)c2)c1
InChIInChI=1S/C16H16ClFN2O3S/c1-10(2)19-16(21)11-4-3-5-13(8-11)24(22,23)20-12-6-7-15(18)14(17)9-12/h3-10,20H,1-2H3,(H,19,21)
InChIKeyIIWGLZYJDCNGQJ-UHFFFAOYSA-N
XLogP3.42
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.83
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(3-chlorophenyl)sulfamoyl]-N-propan-2-ylbenzamide
CID 26498991
N-tert-butyl-3-[(3-chloro-4-fluorophenyl)sulfamoyl]benzamide
CID 109065192
3-[(4-methylphenyl)sulfamoyl]-N-propan-2-ylbenzamide
CID 26499000
3-[(3,4-dichlorophenyl)sulfonylamino]-N-propan-2-ylbenzamide
CID 27648381
3-[(4-chlorophenyl)sulfamoyl]-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide
CID 9299728
3-[(3,5-dimethylphenyl)sulfamoyl]-N-propan-2-ylbenzamide
CID 109062181
3-[[4-(dimethylamino)phenyl]sulfamoyl]-N-propan-2-ylbenzamide
CID 109062218
3-[(3-methoxyphenyl)sulfamoyl]-N-propan-2-ylbenzamide
CID 109062201
3-[(3-bromo-4-methoxyphenyl)sulfamoyl]-N-propan-2-ylbenzamide
CID 27648289
3-[(5-chloro-2-methoxyphenyl)sulfamoyl]-N-propan-2-ylbenzamide
CID 46652166
N-butyl-3-[(3-chloro-4-fluorophenyl)sulfamoyl]-N-methylbenzamide
CID 109065518
N-[(1R)-1-(4-fluorophenyl)ethyl]-3-[(4-fluorophenyl)sulfamoyl]benzamide
CID 9410285

Frequently Asked Questions

What is the IUPAC name of 3-[(3-chloro-4-fluorophenyl)sulfamoyl]-N-propan-2-ylbenzamide?
The IUPAC name of 3-[(3-chloro-4-fluorophenyl)sulfamoyl]-N-propan-2-ylbenzamide (CID 109062198) is 3-[(3-chloro-4-fluorophenyl)sulfamoyl]-N-propan-2-ylbenzamide.
What is the SMILES notation for 3-[(3-chloro-4-fluorophenyl)sulfamoyl]-N-propan-2-ylbenzamide?
The canonical SMILES for 3-[(3-chloro-4-fluorophenyl)sulfamoyl]-N-propan-2-ylbenzamide is CC(C)NC(=O)c1cccc(S(=O)(=O)Nc2ccc(F)c(Cl)c2)c1.
What is the InChIKey of 3-[(3-chloro-4-fluorophenyl)sulfamoyl]-N-propan-2-ylbenzamide?
The InChIKey is IIWGLZYJDCNGQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClFN2O3S/c1-10(2)19-16(21)11-4-3-5-13(8-11)24(22,23)20-12-6-7-15(18)14(17)9-12/h3-10,20H,1-2H3,(H,19,21).
What are the key properties of 3-[(3-chloro-4-fluorophenyl)sulfamoyl]-N-propan-2-ylbenzamide?
3-[(3-chloro-4-fluorophenyl)sulfamoyl]-N-propan-2-ylbenzamide has a molecular weight of 370.83 g/mol, XLogP of 3.42, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-chloro-4-fluorophenyl)sulfamoyl]-N-propan-2-ylbenzamide is sourced from PubChem (CID 109062198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).