3-[(3-chlorophenyl)sulfamoyl]-N-propan-2-ylbenzamide

C16H17ClN2O3S — CID 26498991

IUPAC3-[(3-chlorophenyl)sulfamoyl]-N-propan-2-ylbenzamide
SMILESCC(C)NC(=O)c1cccc(S(=O)(=O)Nc2cccc(Cl)c2)c1
InChIInChI=1S/C16H17ClN2O3S/c1-11(2)18-16(20)12-5-3-8-15(9-12)23(21,22)19-14-7-4-6-13(17)10-14/h3-11,19H,1-2H3,(H,18,20)
InChIKeyXRGPLRVKJROJAC-UHFFFAOYSA-N
MW352.84 g/mol
LogP3.28
Rot. Bonds5

About 3-[(3-chlorophenyl)sulfamoyl]-N-propan-2-ylbenzamide

3-[(3-chlorophenyl)sulfamoyl]-N-propan-2-ylbenzamide (PubChem CID 26498991) has the molecular formula C16H17ClN2O3S and a molecular weight of 352.84 g/mol. Its IUPAC name is 3-[(3-chlorophenyl)sulfamoyl]-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name3-[(3-chlorophenyl)sulfamoyl]-N-propan-2-ylbenzamide
PubChem CID26498991
Molecular FormulaC16H17ClN2O3S
Molecular Weight352.84 g/mol
Exact Mass352.06
IUPAC Name3-[(3-chlorophenyl)sulfamoyl]-N-propan-2-ylbenzamide
SMILESCC(C)NC(=O)c1cccc(S(=O)(=O)Nc2cccc(Cl)c2)c1
InChIInChI=1S/C16H17ClN2O3S/c1-11(2)18-16(20)12-5-3-8-15(9-12)23(21,22)19-14-7-4-6-13(17)10-14/h3-11,19H,1-2H3,(H,18,20)
InChIKeyXRGPLRVKJROJAC-UHFFFAOYSA-N
XLogP3.28
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.84
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl (2S)-2-[[3-[(3-chlorophenyl)sulfamoyl]benzoyl]amino]-3-hydroxypropanoate
CID 9277457
3-[(3-chloro-4-fluorophenyl)sulfamoyl]-N-propan-2-ylbenzamide
CID 109062198
3-[(3-methoxyphenyl)sulfamoyl]-N-propan-2-ylbenzamide
CID 109062201
3-[(3,4-dichlorophenyl)sulfonylamino]-N-propan-2-ylbenzamide
CID 27648381
3-[(3,5-dimethylphenyl)sulfamoyl]-N-propan-2-ylbenzamide
CID 109062181
3-[(4-methylphenyl)sulfamoyl]-N-propan-2-ylbenzamide
CID 26499000
[1-oxo-1-(propan-2-ylcarbamoylamino)propan-2-yl] 3-[(3-chlorophenyl)sulfamoyl]benzoate
CID 24587838
3-chloro-N-propan-2-ylbenzamide
CID 669184
3-[(3-chlorophenyl)sulfamoyl]-N-[3-(2-methylpropoxy)propyl]benzamide
CID 24560167
3-[(5-chloro-2-methoxyphenyl)sulfamoyl]-N-propan-2-ylbenzamide
CID 46652166
3-[(3-chlorophenyl)sulfamoyl]-N-(2-hydroxyphenyl)benzamide
CID 24564068
3-[(3-chlorophenyl)sulfamoyl]-N-methyl-N-(2-methylpropyl)benzamide
CID 134058784

Frequently Asked Questions

What is the IUPAC name of 3-[(3-chlorophenyl)sulfamoyl]-N-propan-2-ylbenzamide?
The IUPAC name of 3-[(3-chlorophenyl)sulfamoyl]-N-propan-2-ylbenzamide (CID 26498991) is 3-[(3-chlorophenyl)sulfamoyl]-N-propan-2-ylbenzamide.
What is the SMILES notation for 3-[(3-chlorophenyl)sulfamoyl]-N-propan-2-ylbenzamide?
The canonical SMILES for 3-[(3-chlorophenyl)sulfamoyl]-N-propan-2-ylbenzamide is CC(C)NC(=O)c1cccc(S(=O)(=O)Nc2cccc(Cl)c2)c1.
What is the InChIKey of 3-[(3-chlorophenyl)sulfamoyl]-N-propan-2-ylbenzamide?
The InChIKey is XRGPLRVKJROJAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O3S/c1-11(2)18-16(20)12-5-3-8-15(9-12)23(21,22)19-14-7-4-6-13(17)10-14/h3-11,19H,1-2H3,(H,18,20).
What are the key properties of 3-[(3-chlorophenyl)sulfamoyl]-N-propan-2-ylbenzamide?
3-[(3-chlorophenyl)sulfamoyl]-N-propan-2-ylbenzamide has a molecular weight of 352.84 g/mol, XLogP of 3.28, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-chlorophenyl)sulfamoyl]-N-propan-2-ylbenzamide is sourced from PubChem (CID 26498991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).