3,5-difluoro-4-[(2-methyl-1,3-thiazole-4-carbonyl)amino]benzenesulfonyl chloride

C11H7ClF2N2O3S2 — CID 65199816

IUPAC3,5-difluoro-4-[(2-methyl-1,3-thiazole-4-carbonyl)amino]benzenesulfonyl chloride
SMILESCc1nc(C(=O)Nc2c(F)cc(S(=O)(=O)Cl)cc2F)cs1
InChIInChI=1S/C11H7ClF2N2O3S2/c1-5-15-9(4-20-5)11(17)16-10-7(13)2-6(3-8(10)14)21(12,18)19/h2-4H,1H3,(H,16,17)
InChIKeyAYRTZYZSJFGNQZ-UHFFFAOYSA-N
MW352.77 g/mol
LogP2.91
Rot. Bonds3

About 3,5-difluoro-4-[(2-methyl-1,3-thiazole-4-carbonyl)amino]benzenesulfonyl chloride

3,5-difluoro-4-[(2-methyl-1,3-thiazole-4-carbonyl)amino]benzenesulfonyl chloride (PubChem CID 65199816) has the molecular formula C11H7ClF2N2O3S2 and a molecular weight of 352.77 g/mol. Its IUPAC name is 3,5-difluoro-4-[(2-methyl-1,3-thiazole-4-carbonyl)amino]benzenesulfonyl chloride.

Molecular Properties

Compound Name3,5-difluoro-4-[(2-methyl-1,3-thiazole-4-carbonyl)amino]benzenesulfonyl chloride
PubChem CID65199816
Molecular FormulaC11H7ClF2N2O3S2
Molecular Weight352.77 g/mol
Exact Mass351.96
IUPAC Name3,5-difluoro-4-[(2-methyl-1,3-thiazole-4-carbonyl)amino]benzenesulfonyl chloride
SMILESCc1nc(C(=O)Nc2c(F)cc(S(=O)(=O)Cl)cc2F)cs1
InChIInChI=1S/C11H7ClF2N2O3S2/c1-5-15-9(4-20-5)11(17)16-10-7(13)2-6(3-8(10)14)21(12,18)19/h2-4H,1H3,(H,16,17)
InChIKeyAYRTZYZSJFGNQZ-UHFFFAOYSA-N
XLogP2.91
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.77
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3,5-difluoro-4-[(2-methyl-1,3-thiazole-4-carbonyl)amino]benzenesulfonyl 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

N-(2,6-dimethyl-4-sulfamoylphenyl)-2-methyl-1,3-thiazole-4-carboxamide
CID 65198450
3,5-difluoro-4-[(2-methylpyrazole-3-carbonyl)amino]benzenesulfonyl chloride
CID 62921141
3,5-difluoro-4-[(1-methylpyrazole-4-carbonyl)amino]benzenesulfonyl chloride
CID 43111556
2,4-difluoro-5-[(2-methyl-1,3-thiazole-4-carbonyl)amino]benzoic acid
CID 65200000
N-(2,3-difluorophenyl)-2-methyl-1,3-thiazole-4-carboxamide
CID 47450900
N-(2-amino-4,6-dibromophenyl)-2-methyl-1,3-thiazole-4-carboxamide
CID 65199792
2-methyl-N-(4-methyl-3-sulfamoylphenyl)-1,3-thiazole-4-carboxamide
CID 47445064
N,2-dimethyl-1,3-thiazole-4-carboxamide;methanol
CID 90101890
3,5-dimethyl-4-(pyridine-2-carbonylamino)benzenesulfonyl chloride
CID 43102261
2-(2-aminoethyl)-N-(4-bromo-2,6-difluorophenyl)-1,3-thiazole-4-carboxamide
CID 66389198
4-(2-cyclopropylpropanoylamino)-3,5-difluorobenzenesulfonyl chloride
CID 83154456
N-(5-bromo-4-methyl-2-pyridinyl)-2-methyl-1,3-thiazole-4-carboxamide
CID 79729954

Frequently Asked Questions

What is the IUPAC name of 3,5-difluoro-4-[(2-methyl-1,3-thiazole-4-carbonyl)amino]benzenesulfonyl chloride?
The IUPAC name of 3,5-difluoro-4-[(2-methyl-1,3-thiazole-4-carbonyl)amino]benzenesulfonyl chloride (CID 65199816) is 3,5-difluoro-4-[(2-methyl-1,3-thiazole-4-carbonyl)amino]benzenesulfonyl chloride.
What is the SMILES notation for 3,5-difluoro-4-[(2-methyl-1,3-thiazole-4-carbonyl)amino]benzenesulfonyl chloride?
The canonical SMILES for 3,5-difluoro-4-[(2-methyl-1,3-thiazole-4-carbonyl)amino]benzenesulfonyl chloride is Cc1nc(C(=O)Nc2c(F)cc(S(=O)(=O)Cl)cc2F)cs1.
What is the InChIKey of 3,5-difluoro-4-[(2-methyl-1,3-thiazole-4-carbonyl)amino]benzenesulfonyl chloride?
The InChIKey is AYRTZYZSJFGNQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7ClF2N2O3S2/c1-5-15-9(4-20-5)11(17)16-10-7(13)2-6(3-8(10)14)21(12,18)19/h2-4H,1H3,(H,16,17).
What are the key properties of 3,5-difluoro-4-[(2-methyl-1,3-thiazole-4-carbonyl)amino]benzenesulfonyl chloride?
3,5-difluoro-4-[(2-methyl-1,3-thiazole-4-carbonyl)amino]benzenesulfonyl chloride has a molecular weight of 352.77 g/mol, XLogP of 2.91, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-difluoro-4-[(2-methyl-1,3-thiazole-4-carbonyl)amino]benzenesulfonyl chloride is sourced from PubChem (CID 65199816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).