3-(tert-butylcarbamoyl)-2,4-difluorobenzenesulfonyl chloride

C11H12ClF2NO3S — CID 65372559

IUPAC3-(tert-butylcarbamoyl)-2,4-difluorobenzenesulfonyl chloride
SMILESCC(C)(C)NC(=O)c1c(F)ccc(S(=O)(=O)Cl)c1F
InChIInChI=1S/C11H12ClF2NO3S/c1-11(2,3)15-10(16)8-6(13)4-5-7(9(8)14)19(12,17)18/h4-5H,1-3H3,(H,15,16)
InChIKeyKTSUMSJOVLCUHD-UHFFFAOYSA-N
MW311.74 g/mol
LogP2.42
Rot. Bonds2

About 3-(tert-butylcarbamoyl)-2,4-difluorobenzenesulfonyl chloride

3-(tert-butylcarbamoyl)-2,4-difluorobenzenesulfonyl chloride (PubChem CID 65372559) has the molecular formula C11H12ClF2NO3S and a molecular weight of 311.74 g/mol. Its IUPAC name is 3-(tert-butylcarbamoyl)-2,4-difluorobenzenesulfonyl chloride.

Molecular Properties

Compound Name3-(tert-butylcarbamoyl)-2,4-difluorobenzenesulfonyl chloride
PubChem CID65372559
Molecular FormulaC11H12ClF2NO3S
Molecular Weight311.74 g/mol
Exact Mass311.02
IUPAC Name3-(tert-butylcarbamoyl)-2,4-difluorobenzenesulfonyl chloride
SMILESCC(C)(C)NC(=O)c1c(F)ccc(S(=O)(=O)Cl)c1F
InChIInChI=1S/C11H12ClF2NO3S/c1-11(2,3)15-10(16)8-6(13)4-5-7(9(8)14)19(12,17)18/h4-5H,1-3H3,(H,15,16)
InChIKeyKTSUMSJOVLCUHD-UHFFFAOYSA-N
XLogP2.42
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.74
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(tert-butylcarbamoyl)-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

2,4-difluoro-3-(pentan-3-ylcarbamoyl)benzenesulfonyl chloride
CID 65370851
3-chlorosulfonyl-2,6-difluorobenzoic acid
CID 3304796
3-(butylcarbamoyl)-2,4-difluorobenzenesulfonyl chloride
CID 65368086
2,4-difluoro-3-[(2-methyloxolan-3-yl)carbamoyl]benzenesulfonyl chloride
CID 82731514
2-methoxyethyl 3-chlorosulfonyl-2,6-difluorobenzoate
CID 65373920
3-(tert-butylcarbamoyl)-4-fluorobenzenesulfonyl chloride
CID 65372366
2-cyclopropylethyl 3-chlorosulfonyl-2,6-difluorobenzoate
CID 106206902
N-(1-chloro-2-methylpropan-2-yl)-2,6-difluoro-3-methylbenzamide
CID 82816226
1-methoxypropan-2-yl 3-chlorosulfonyl-2,6-difluorobenzoate
CID 65375121
cyclopentyl 3-chlorosulfonyl-2,6-difluorobenzoate
CID 65398297
2-[(2,6-difluoro-3-methylbenzoyl)amino]-3,3,3-trifluoro-2-methylpropanoic acid
CID 82796858
3-(2,2-dimethylpropanoyl)-2,4-difluoro-N-methylbenzenesulfonamide
CID 58961149

Frequently Asked Questions

What is the IUPAC name of 3-(tert-butylcarbamoyl)-2,4-difluorobenzenesulfonyl chloride?
The IUPAC name of 3-(tert-butylcarbamoyl)-2,4-difluorobenzenesulfonyl chloride (CID 65372559) is 3-(tert-butylcarbamoyl)-2,4-difluorobenzenesulfonyl chloride.
What is the SMILES notation for 3-(tert-butylcarbamoyl)-2,4-difluorobenzenesulfonyl chloride?
The canonical SMILES for 3-(tert-butylcarbamoyl)-2,4-difluorobenzenesulfonyl chloride is CC(C)(C)NC(=O)c1c(F)ccc(S(=O)(=O)Cl)c1F.
What is the InChIKey of 3-(tert-butylcarbamoyl)-2,4-difluorobenzenesulfonyl chloride?
The InChIKey is KTSUMSJOVLCUHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClF2NO3S/c1-11(2,3)15-10(16)8-6(13)4-5-7(9(8)14)19(12,17)18/h4-5H,1-3H3,(H,15,16).
What are the key properties of 3-(tert-butylcarbamoyl)-2,4-difluorobenzenesulfonyl chloride?
3-(tert-butylcarbamoyl)-2,4-difluorobenzenesulfonyl chloride has a molecular weight of 311.74 g/mol, XLogP of 2.42, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(tert-butylcarbamoyl)-2,4-difluorobenzenesulfonyl chloride is sourced from PubChem (CID 65372559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).