5-(1-cyclopropylpropan-2-ylcarbamoyl)-2,4-difluorobenzenesulfonyl chloride

C13H14ClF2NO3S — CID 65397452

IUPAC5-(1-cyclopropylpropan-2-ylcarbamoyl)-2,4-difluorobenzenesulfonyl chloride
SMILESCC(CC1CC1)NC(=O)c1cc(S(=O)(=O)Cl)c(F)cc1F
InChIInChI=1S/C13H14ClF2NO3S/c1-7(4-8-2-3-8)17-13(18)9-5-12(21(14,19)20)11(16)6-10(9)15/h5-8H,2-4H2,1H3,(H,17,18)
InChIKeyLWFPFVVKNUICPS-UHFFFAOYSA-N
MW337.78 g/mol
LogP2.81
Rot. Bonds5

About 5-(1-cyclopropylpropan-2-ylcarbamoyl)-2,4-difluorobenzenesulfonyl chloride

5-(1-cyclopropylpropan-2-ylcarbamoyl)-2,4-difluorobenzenesulfonyl chloride (PubChem CID 65397452) has the molecular formula C13H14ClF2NO3S and a molecular weight of 337.78 g/mol. Its IUPAC name is 5-(1-cyclopropylpropan-2-ylcarbamoyl)-2,4-difluorobenzenesulfonyl chloride.

Molecular Properties

Compound Name5-(1-cyclopropylpropan-2-ylcarbamoyl)-2,4-difluorobenzenesulfonyl chloride
PubChem CID65397452
Molecular FormulaC13H14ClF2NO3S
Molecular Weight337.78 g/mol
Exact Mass337.04
IUPAC Name5-(1-cyclopropylpropan-2-ylcarbamoyl)-2,4-difluorobenzenesulfonyl chloride
SMILESCC(CC1CC1)NC(=O)c1cc(S(=O)(=O)Cl)c(F)cc1F
InChIInChI=1S/C13H14ClF2NO3S/c1-7(4-8-2-3-8)17-13(18)9-5-12(21(14,19)20)11(16)6-10(9)15/h5-8H,2-4H2,1H3,(H,17,18)
InChIKeyLWFPFVVKNUICPS-UHFFFAOYSA-N
XLogP2.81
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.78
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-(1-cyclopropylpropan-2-ylcarbamoyl)-2,4-difluorobenzenesulfonyl chloride 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-bromo-N-(1-cyclopropylpropan-2-yl)-2-fluoro-5-sulfamoylbenzamide
CID 65388695
N-(1-cyclopropylpropan-2-yl)-2-fluoro-4-methylbenzamide
CID 79796022
N-(1-cyclopropylpropan-2-yl)-2,5-difluoro-4-nitrobenzamide
CID 104699393
3-chloro-5-(1-cyclopropylpropan-2-ylcarbamoyl)-2-methylbenzenesulfonyl chloride
CID 65397644
2-bromo-5-(1-cyclopropylpropan-2-ylcarbamoyl)furan-3-sulfonyl chloride
CID 65397451
N-(1-cyclopropylpropan-2-yl)-5-fluoro-2-methyl-3-sulfamoylbenzamide
CID 65387150
2-bromo-5-(cyclopropylmethylcarbamoyl)-4-fluorobenzenesulfonyl chloride
CID 65370657
5-chloro-N-(1-cyclopropylpropan-2-yl)-2-(ethylamino)benzamide
CID 63995007
5-(2,2-dimethylbutylcarbamoyl)-2,4-difluorobenzenesulfonyl chloride
CID 103465541
5-bromo-N-(1-cyclopropylpropan-2-yl)-2-methyl-3-sulfamoylbenzamide
CID 65388884
2-chloro-5-(cyclopentylmethylcarbamoyl)-4-fluorobenzenesulfonyl chloride
CID 65372080
5-(1-cyclopropylpropan-2-ylcarbamoyl)-1-ethylpyrrole-3-sulfonyl chloride
CID 114611416

Frequently Asked Questions

What is the IUPAC name of 5-(1-cyclopropylpropan-2-ylcarbamoyl)-2,4-difluorobenzenesulfonyl chloride?
The IUPAC name of 5-(1-cyclopropylpropan-2-ylcarbamoyl)-2,4-difluorobenzenesulfonyl chloride (CID 65397452) is 5-(1-cyclopropylpropan-2-ylcarbamoyl)-2,4-difluorobenzenesulfonyl chloride.
What is the SMILES notation for 5-(1-cyclopropylpropan-2-ylcarbamoyl)-2,4-difluorobenzenesulfonyl chloride?
The canonical SMILES for 5-(1-cyclopropylpropan-2-ylcarbamoyl)-2,4-difluorobenzenesulfonyl chloride is CC(CC1CC1)NC(=O)c1cc(S(=O)(=O)Cl)c(F)cc1F.
What is the InChIKey of 5-(1-cyclopropylpropan-2-ylcarbamoyl)-2,4-difluorobenzenesulfonyl chloride?
The InChIKey is LWFPFVVKNUICPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClF2NO3S/c1-7(4-8-2-3-8)17-13(18)9-5-12(21(14,19)20)11(16)6-10(9)15/h5-8H,2-4H2,1H3,(H,17,18).
What are the key properties of 5-(1-cyclopropylpropan-2-ylcarbamoyl)-2,4-difluorobenzenesulfonyl chloride?
5-(1-cyclopropylpropan-2-ylcarbamoyl)-2,4-difluorobenzenesulfonyl chloride has a molecular weight of 337.78 g/mol, XLogP of 2.81, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-cyclopropylpropan-2-ylcarbamoyl)-2,4-difluorobenzenesulfonyl chloride is sourced from PubChem (CID 65397452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).