2-chloro-N-[(3-fluoro-4-methylphenyl)methyl]-1,3-thiazole-5-sulfonamide

C11H10ClFN2O2S2 — CID 61215673

IUPAC2-chloro-N-[(3-fluoro-4-methylphenyl)methyl]-1,3-thiazole-5-sulfonamide
SMILESCc1ccc(CNS(=O)(=O)c2cnc(Cl)s2)cc1F
InChIInChI=1S/C11H10ClFN2O2S2/c1-7-2-3-8(4-9(7)13)5-15-19(16,17)10-6-14-11(12)18-10/h2-4,6,15H,5H2,1H3
InChIKeyYFVSAUXBHBXXKT-UHFFFAOYSA-N
MW320.80 g/mol
LogP2.72
Rot. Bonds4

About 2-chloro-N-[(3-fluoro-4-methylphenyl)methyl]-1,3-thiazole-5-sulfonamide

2-chloro-N-[(3-fluoro-4-methylphenyl)methyl]-1,3-thiazole-5-sulfonamide (PubChem CID 61215673) has the molecular formula C11H10ClFN2O2S2 and a molecular weight of 320.80 g/mol. Its IUPAC name is 2-chloro-N-[(3-fluoro-4-methylphenyl)methyl]-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound Name2-chloro-N-[(3-fluoro-4-methylphenyl)methyl]-1,3-thiazole-5-sulfonamide
PubChem CID61215673
Molecular FormulaC11H10ClFN2O2S2
Molecular Weight320.80 g/mol
Exact Mass319.99
IUPAC Name2-chloro-N-[(3-fluoro-4-methylphenyl)methyl]-1,3-thiazole-5-sulfonamide
SMILESCc1ccc(CNS(=O)(=O)c2cnc(Cl)s2)cc1F
InChIInChI=1S/C11H10ClFN2O2S2/c1-7-2-3-8(4-9(7)13)5-15-19(16,17)10-6-14-11(12)18-10/h2-4,6,15H,5H2,1H3
InChIKeyYFVSAUXBHBXXKT-UHFFFAOYSA-N
XLogP2.72
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.80
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-N-[(4-ethylphenyl)methyl]-1,3-thiazole-5-sulfonamide
CID 106899619
2-chloro-N-[[3-(hydroxymethyl)phenyl]methyl]-1,3-thiazole-5-sulfonamide
CID 107230342
N-[(3-bromophenyl)methyl]-2-chloro-1,3-thiazole-5-sulfonamide
CID 61401742
2-chloro-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-5-sulfonamide
CID 43455863
2-chloro-N-[(6-methoxy-3-pyridinyl)methyl]-1,3-thiazole-5-sulfonamide
CID 61249590
2-chloro-N-(5-fluoro-2-methylphenyl)-1,3-thiazole-5-sulfonamide
CID 43427475
2-chloro-N-[2-(3-fluorophenyl)ethyl]-1,3-thiazole-5-sulfonamide
CID 43566269
2,4-difluoro-N-[(3-fluoro-4-methylphenyl)methyl]benzenesulfonamide
CID 3315110
2-chloro-N-(1,2-oxazol-3-ylmethyl)-1,3-thiazole-5-sulfonamide
CID 81170323
N-[(3-fluoro-4-methylphenyl)methyl]-4-methoxy-3,5-dimethylbenzenesulfonamide
CID 112823083
2-chloro-N-[(2-methoxyphenyl)methyl]-1,3-thiazole-5-sulfonamide
CID 43455847
2-chloro-N-[[2-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-5-sulfonamide
CID 62880621

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(3-fluoro-4-methylphenyl)methyl]-1,3-thiazole-5-sulfonamide?
The IUPAC name of 2-chloro-N-[(3-fluoro-4-methylphenyl)methyl]-1,3-thiazole-5-sulfonamide (CID 61215673) is 2-chloro-N-[(3-fluoro-4-methylphenyl)methyl]-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for 2-chloro-N-[(3-fluoro-4-methylphenyl)methyl]-1,3-thiazole-5-sulfonamide?
The canonical SMILES for 2-chloro-N-[(3-fluoro-4-methylphenyl)methyl]-1,3-thiazole-5-sulfonamide is Cc1ccc(CNS(=O)(=O)c2cnc(Cl)s2)cc1F.
What is the InChIKey of 2-chloro-N-[(3-fluoro-4-methylphenyl)methyl]-1,3-thiazole-5-sulfonamide?
The InChIKey is YFVSAUXBHBXXKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClFN2O2S2/c1-7-2-3-8(4-9(7)13)5-15-19(16,17)10-6-14-11(12)18-10/h2-4,6,15H,5H2,1H3.
What are the key properties of 2-chloro-N-[(3-fluoro-4-methylphenyl)methyl]-1,3-thiazole-5-sulfonamide?
2-chloro-N-[(3-fluoro-4-methylphenyl)methyl]-1,3-thiazole-5-sulfonamide has a molecular weight of 320.80 g/mol, XLogP of 2.72, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(3-fluoro-4-methylphenyl)methyl]-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 61215673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).