5-chloro-4-[(2,5-difluorophenyl)methylamino]-2-fluoro-N-(1,3-thiazol-4-yl)benzenesulfonamide

C16H11ClF3N3O2S2 — CID 134585389

IUPAC5-chloro-4-[(2,5-difluorophenyl)methylamino]-2-fluoro-N-(1,3-thiazol-4-yl)benzenesulfonamide
SMILESO=S(=O)(Nc1cscn1)c1cc(Cl)c(NCc2cc(F)ccc2F)cc1F
InChIInChI=1S/C16H11ClF3N3O2S2/c17-11-4-15(27(24,25)23-16-7-26-8-22-16)13(20)5-14(11)21-6-9-3-10(18)1-2-12(9)19/h1-5,7-8,21,23H,6H2
InChIKeyRVSQXLHJPFTVRX-UHFFFAOYSA-N
MW433.86 g/mol
LogP4.63
Rot. Bonds6

About 5-chloro-4-[(2,5-difluorophenyl)methylamino]-2-fluoro-N-(1,3-thiazol-4-yl)benzenesulfonamide

5-chloro-4-[(2,5-difluorophenyl)methylamino]-2-fluoro-N-(1,3-thiazol-4-yl)benzenesulfonamide (PubChem CID 134585389) has the molecular formula C16H11ClF3N3O2S2 and a molecular weight of 433.86 g/mol. Its IUPAC name is 5-chloro-4-[(2,5-difluorophenyl)methylamino]-2-fluoro-N-(1,3-thiazol-4-yl)benzenesulfonamide.

Molecular Properties

Compound Name5-chloro-4-[(2,5-difluorophenyl)methylamino]-2-fluoro-N-(1,3-thiazol-4-yl)benzenesulfonamide
PubChem CID134585389
Molecular FormulaC16H11ClF3N3O2S2
Molecular Weight433.86 g/mol
Exact Mass432.99
IUPAC Name5-chloro-4-[(2,5-difluorophenyl)methylamino]-2-fluoro-N-(1,3-thiazol-4-yl)benzenesulfonamide
SMILESO=S(=O)(Nc1cscn1)c1cc(Cl)c(NCc2cc(F)ccc2F)cc1F
InChIInChI=1S/C16H11ClF3N3O2S2/c17-11-4-15(27(24,25)23-16-7-26-8-22-16)13(20)5-14(11)21-6-9-3-10(18)1-2-12(9)19/h1-5,7-8,21,23H,6H2
InChIKeyRVSQXLHJPFTVRX-UHFFFAOYSA-N
XLogP4.63
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.86
LogP ≤ 54.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-[(2,5-difluorophenyl)methylamino]-2-fluoro-N-(1,3-thiazol-4-yl)benzenesulfonamide?
The IUPAC name of 5-chloro-4-[(2,5-difluorophenyl)methylamino]-2-fluoro-N-(1,3-thiazol-4-yl)benzenesulfonamide (CID 134585389) is 5-chloro-4-[(2,5-difluorophenyl)methylamino]-2-fluoro-N-(1,3-thiazol-4-yl)benzenesulfonamide.
What is the SMILES notation for 5-chloro-4-[(2,5-difluorophenyl)methylamino]-2-fluoro-N-(1,3-thiazol-4-yl)benzenesulfonamide?
The canonical SMILES for 5-chloro-4-[(2,5-difluorophenyl)methylamino]-2-fluoro-N-(1,3-thiazol-4-yl)benzenesulfonamide is O=S(=O)(Nc1cscn1)c1cc(Cl)c(NCc2cc(F)ccc2F)cc1F.
What is the InChIKey of 5-chloro-4-[(2,5-difluorophenyl)methylamino]-2-fluoro-N-(1,3-thiazol-4-yl)benzenesulfonamide?
The InChIKey is RVSQXLHJPFTVRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClF3N3O2S2/c17-11-4-15(27(24,25)23-16-7-26-8-22-16)13(20)5-14(11)21-6-9-3-10(18)1-2-12(9)19/h1-5,7-8,21,23H,6H2.
What are the key properties of 5-chloro-4-[(2,5-difluorophenyl)methylamino]-2-fluoro-N-(1,3-thiazol-4-yl)benzenesulfonamide?
5-chloro-4-[(2,5-difluorophenyl)methylamino]-2-fluoro-N-(1,3-thiazol-4-yl)benzenesulfonamide has a molecular weight of 433.86 g/mol, XLogP of 4.63, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-[(2,5-difluorophenyl)methylamino]-2-fluoro-N-(1,3-thiazol-4-yl)benzenesulfonamide is sourced from PubChem (CID 134585389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).