N-(3-chloro-1H-indol-7-yl)-2-(difluoromethyl)-1,3-thiazole-5-sulfonamide

C12H8ClF2N3O2S2 — CID 171055506

IUPACN-(3-chloro-1H-indol-7-yl)-2-(difluoromethyl)-1,3-thiazole-5-sulfonamide
SMILESO=S(=O)(Nc1cccc2c(Cl)c[nH]c12)c1cnc(C(F)F)s1
InChIInChI=1S/C12H8ClF2N3O2S2/c13-7-4-16-10-6(7)2-1-3-8(10)18-22(19,20)9-5-17-12(21-9)11(14)15/h1-5,11,16,18H
InChIKeyGCOJNGQBNQMKPC-UHFFFAOYSA-N
MW363.80 g/mol
LogP4.02
Rot. Bonds4

About N-(3-chloro-1H-indol-7-yl)-2-(difluoromethyl)-1,3-thiazole-5-sulfonamide

N-(3-chloro-1H-indol-7-yl)-2-(difluoromethyl)-1,3-thiazole-5-sulfonamide (PubChem CID 171055506) has the molecular formula C12H8ClF2N3O2S2 and a molecular weight of 363.80 g/mol. Its IUPAC name is N-(3-chloro-1H-indol-7-yl)-2-(difluoromethyl)-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound NameN-(3-chloro-1H-indol-7-yl)-2-(difluoromethyl)-1,3-thiazole-5-sulfonamide
PubChem CID171055506
Molecular FormulaC12H8ClF2N3O2S2
Molecular Weight363.80 g/mol
Exact Mass362.97
IUPAC NameN-(3-chloro-1H-indol-7-yl)-2-(difluoromethyl)-1,3-thiazole-5-sulfonamide
SMILESO=S(=O)(Nc1cccc2c(Cl)c[nH]c12)c1cnc(C(F)F)s1
InChIInChI=1S/C12H8ClF2N3O2S2/c13-7-4-16-10-6(7)2-1-3-8(10)18-22(19,20)9-5-17-12(21-9)11(14)15/h1-5,11,16,18H
InChIKeyGCOJNGQBNQMKPC-UHFFFAOYSA-N
XLogP4.02
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.80
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-1H-indol-7-yl)-2-(difluoromethyl)-1,3-thiazole-5-sulfonamide?
The IUPAC name of N-(3-chloro-1H-indol-7-yl)-2-(difluoromethyl)-1,3-thiazole-5-sulfonamide (CID 171055506) is N-(3-chloro-1H-indol-7-yl)-2-(difluoromethyl)-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for N-(3-chloro-1H-indol-7-yl)-2-(difluoromethyl)-1,3-thiazole-5-sulfonamide?
The canonical SMILES for N-(3-chloro-1H-indol-7-yl)-2-(difluoromethyl)-1,3-thiazole-5-sulfonamide is O=S(=O)(Nc1cccc2c(Cl)c[nH]c12)c1cnc(C(F)F)s1.
What is the InChIKey of N-(3-chloro-1H-indol-7-yl)-2-(difluoromethyl)-1,3-thiazole-5-sulfonamide?
The InChIKey is GCOJNGQBNQMKPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClF2N3O2S2/c13-7-4-16-10-6(7)2-1-3-8(10)18-22(19,20)9-5-17-12(21-9)11(14)15/h1-5,11,16,18H.
What are the key properties of N-(3-chloro-1H-indol-7-yl)-2-(difluoromethyl)-1,3-thiazole-5-sulfonamide?
N-(3-chloro-1H-indol-7-yl)-2-(difluoromethyl)-1,3-thiazole-5-sulfonamide has a molecular weight of 363.80 g/mol, XLogP of 4.02, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-1H-indol-7-yl)-2-(difluoromethyl)-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 171055506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).