N-(3-chloro-4-fluoro-1H-indol-7-yl)-2-methyl-1,3-thiazole-5-sulfonamide

C12H9ClFN3O2S2 — CID 170949812

IUPACN-(3-chloro-4-fluoro-1H-indol-7-yl)-2-methyl-1,3-thiazole-5-sulfonamide
SMILESCc1ncc(S(=O)(=O)Nc2ccc(F)c3c(Cl)c[nH]c23)s1
InChIInChI=1S/C12H9ClFN3O2S2/c1-6-15-5-10(20-6)21(18,19)17-9-3-2-8(14)11-7(13)4-16-12(9)11/h2-5,16-17H,1H3
InChIKeyVFMJDCHEWUIHAC-UHFFFAOYSA-N
MW345.81 g/mol
LogP3.53
Rot. Bonds3

About N-(3-chloro-4-fluoro-1H-indol-7-yl)-2-methyl-1,3-thiazole-5-sulfonamide

N-(3-chloro-4-fluoro-1H-indol-7-yl)-2-methyl-1,3-thiazole-5-sulfonamide (PubChem CID 170949812) has the molecular formula C12H9ClFN3O2S2 and a molecular weight of 345.81 g/mol. Its IUPAC name is N-(3-chloro-4-fluoro-1H-indol-7-yl)-2-methyl-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound NameN-(3-chloro-4-fluoro-1H-indol-7-yl)-2-methyl-1,3-thiazole-5-sulfonamide
PubChem CID170949812
Molecular FormulaC12H9ClFN3O2S2
Molecular Weight345.81 g/mol
Exact Mass344.98
IUPAC NameN-(3-chloro-4-fluoro-1H-indol-7-yl)-2-methyl-1,3-thiazole-5-sulfonamide
SMILESCc1ncc(S(=O)(=O)Nc2ccc(F)c3c(Cl)c[nH]c23)s1
InChIInChI=1S/C12H9ClFN3O2S2/c1-6-15-5-10(20-6)21(18,19)17-9-3-2-8(14)11-7(13)4-16-12(9)11/h2-5,16-17H,1H3
InChIKeyVFMJDCHEWUIHAC-UHFFFAOYSA-N
XLogP3.53
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.81
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluoro-1H-indol-7-yl)-2-methyl-1,3-thiazole-5-sulfonamide?
The IUPAC name of N-(3-chloro-4-fluoro-1H-indol-7-yl)-2-methyl-1,3-thiazole-5-sulfonamide (CID 170949812) is N-(3-chloro-4-fluoro-1H-indol-7-yl)-2-methyl-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for N-(3-chloro-4-fluoro-1H-indol-7-yl)-2-methyl-1,3-thiazole-5-sulfonamide?
The canonical SMILES for N-(3-chloro-4-fluoro-1H-indol-7-yl)-2-methyl-1,3-thiazole-5-sulfonamide is Cc1ncc(S(=O)(=O)Nc2ccc(F)c3c(Cl)c[nH]c23)s1.
What is the InChIKey of N-(3-chloro-4-fluoro-1H-indol-7-yl)-2-methyl-1,3-thiazole-5-sulfonamide?
The InChIKey is VFMJDCHEWUIHAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClFN3O2S2/c1-6-15-5-10(20-6)21(18,19)17-9-3-2-8(14)11-7(13)4-16-12(9)11/h2-5,16-17H,1H3.
What are the key properties of N-(3-chloro-4-fluoro-1H-indol-7-yl)-2-methyl-1,3-thiazole-5-sulfonamide?
N-(3-chloro-4-fluoro-1H-indol-7-yl)-2-methyl-1,3-thiazole-5-sulfonamide has a molecular weight of 345.81 g/mol, XLogP of 3.53, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluoro-1H-indol-7-yl)-2-methyl-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 170949812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).