2-[(2-chloro-1,3-thiazol-5-yl)methylamino]-3-fluorobenzenesulfonamide

C10H9ClFN3O2S2 — CID 168581306

IUPAC2-[(2-chloro-1,3-thiazol-5-yl)methylamino]-3-fluorobenzenesulfonamide
SMILESNS(=O)(=O)c1cccc(F)c1NCc1cnc(Cl)s1
InChIInChI=1S/C10H9ClFN3O2S2/c11-10-15-5-6(18-10)4-14-9-7(12)2-1-3-8(9)19(13,16)17/h1-3,5,14H,4H2,(H2,13,16,17)
InChIKeyIBVCLBVYMJBIGD-UHFFFAOYSA-N
MW321.79 g/mol
LogP2.20
Rot. Bonds4

About 2-[(2-chloro-1,3-thiazol-5-yl)methylamino]-3-fluorobenzenesulfonamide

2-[(2-chloro-1,3-thiazol-5-yl)methylamino]-3-fluorobenzenesulfonamide (PubChem CID 168581306) has the molecular formula C10H9ClFN3O2S2 and a molecular weight of 321.79 g/mol. Its IUPAC name is 2-[(2-chloro-1,3-thiazol-5-yl)methylamino]-3-fluorobenzenesulfonamide.

Molecular Properties

Compound Name2-[(2-chloro-1,3-thiazol-5-yl)methylamino]-3-fluorobenzenesulfonamide
PubChem CID168581306
Molecular FormulaC10H9ClFN3O2S2
Molecular Weight321.79 g/mol
Exact Mass320.98
IUPAC Name2-[(2-chloro-1,3-thiazol-5-yl)methylamino]-3-fluorobenzenesulfonamide
SMILESNS(=O)(=O)c1cccc(F)c1NCc1cnc(Cl)s1
InChIInChI=1S/C10H9ClFN3O2S2/c11-10-15-5-6(18-10)4-14-9-7(12)2-1-3-8(9)19(13,16)17/h1-3,5,14H,4H2,(H2,13,16,17)
InChIKeyIBVCLBVYMJBIGD-UHFFFAOYSA-N
XLogP2.20
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.79
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-[(2-chloro-1,3-thiazol-5-yl)methylamino]-3-fluorophenyl]ethanone
CID 168580633
2-chloro-N-[(2-chloro-1,3-thiazol-5-yl)methyl]-3,6-difluoroaniline
CID 168583939
N-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-fluoro-6-pentan-3-yloxyaniline
CID 168582652
2,6-difluoro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]aniline
CID 60941776
5-bromo-2-[(2-chloro-1,3-thiazol-5-yl)methylamino]-3-fluorophenol
CID 168584289
2-[3-bromo-2-[(2-chloro-1,3-thiazol-5-yl)methylamino]phenyl]phenol
CID 168581714
4-[2-[(2-chloro-1,3-thiazol-5-yl)methylamino]-6-fluoroanilino]cyclohexan-1-ol
CID 168581229
N-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-(difluoromethoxy)-3-fluoroaniline
CID 168580763
2-[(2-chloro-1,3-thiazol-5-yl)methylamino]-3,5-difluorobenzenethiol
CID 168583445
N-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-fluoro-4-phenylaniline
CID 168582121
2,4-dibromo-1-[(2-chloro-1,3-thiazol-5-yl)methylamino]anthracene-9,10-dione
CID 168580735
2-tert-butyl-N-[(2-chloro-1,3-thiazol-5-yl)methyl]-6-methylaniline
CID 168583607

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloro-1,3-thiazol-5-yl)methylamino]-3-fluorobenzenesulfonamide?
The IUPAC name of 2-[(2-chloro-1,3-thiazol-5-yl)methylamino]-3-fluorobenzenesulfonamide (CID 168581306) is 2-[(2-chloro-1,3-thiazol-5-yl)methylamino]-3-fluorobenzenesulfonamide.
What is the SMILES notation for 2-[(2-chloro-1,3-thiazol-5-yl)methylamino]-3-fluorobenzenesulfonamide?
The canonical SMILES for 2-[(2-chloro-1,3-thiazol-5-yl)methylamino]-3-fluorobenzenesulfonamide is NS(=O)(=O)c1cccc(F)c1NCc1cnc(Cl)s1.
What is the InChIKey of 2-[(2-chloro-1,3-thiazol-5-yl)methylamino]-3-fluorobenzenesulfonamide?
The InChIKey is IBVCLBVYMJBIGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClFN3O2S2/c11-10-15-5-6(18-10)4-14-9-7(12)2-1-3-8(9)19(13,16)17/h1-3,5,14H,4H2,(H2,13,16,17).
What are the key properties of 2-[(2-chloro-1,3-thiazol-5-yl)methylamino]-3-fluorobenzenesulfonamide?
2-[(2-chloro-1,3-thiazol-5-yl)methylamino]-3-fluorobenzenesulfonamide has a molecular weight of 321.79 g/mol, XLogP of 2.20, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chloro-1,3-thiazol-5-yl)methylamino]-3-fluorobenzenesulfonamide is sourced from PubChem (CID 168581306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).