N-[4-methyl-3-(trifluoromethyl)-1H-indol-7-yl]-1,3-thiazole-5-sulfonamide

C13H10F3N3O2S2 — CID 170949689

IUPACN-[4-methyl-3-(trifluoromethyl)-1H-indol-7-yl]-1,3-thiazole-5-sulfonamide
SMILESCc1ccc(NS(=O)(=O)c2cncs2)c2[nH]cc(C(F)(F)F)c12
InChIInChI=1S/C13H10F3N3O2S2/c1-7-2-3-9(19-23(20,21)10-5-17-6-22-10)12-11(7)8(4-18-12)13(14,15)16/h2-6,18-19H,1H3
InChIKeyKIVFYYKFPJTMRN-UHFFFAOYSA-N
MW361.37 g/mol
LogP3.75
Rot. Bonds3

About N-[4-methyl-3-(trifluoromethyl)-1H-indol-7-yl]-1,3-thiazole-5-sulfonamide

N-[4-methyl-3-(trifluoromethyl)-1H-indol-7-yl]-1,3-thiazole-5-sulfonamide (PubChem CID 170949689) has the molecular formula C13H10F3N3O2S2 and a molecular weight of 361.37 g/mol. Its IUPAC name is N-[4-methyl-3-(trifluoromethyl)-1H-indol-7-yl]-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound NameN-[4-methyl-3-(trifluoromethyl)-1H-indol-7-yl]-1,3-thiazole-5-sulfonamide
PubChem CID170949689
Molecular FormulaC13H10F3N3O2S2
Molecular Weight361.37 g/mol
Exact Mass361.02
IUPAC NameN-[4-methyl-3-(trifluoromethyl)-1H-indol-7-yl]-1,3-thiazole-5-sulfonamide
SMILESCc1ccc(NS(=O)(=O)c2cncs2)c2[nH]cc(C(F)(F)F)c12
InChIInChI=1S/C13H10F3N3O2S2/c1-7-2-3-9(19-23(20,21)10-5-17-6-22-10)12-11(7)8(4-18-12)13(14,15)16/h2-6,18-19H,1H3
InChIKeyKIVFYYKFPJTMRN-UHFFFAOYSA-N
XLogP3.75
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.37
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(1-Benzothiazol-6-yl-1-ethyl-propyl)-1H-indol-7-yl]-methanesulfonamide
CID 58731243
N-(2-methyl-3-(thiazolo[5,4-b]pyridin-2-yl)phenyl)thiophene-2-sulfonamide
CID 16194552
2,5-difluoro-N-[2-methyl-3-(6-thiophen-2-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]benzenesulfonamide
CID 177645878
N-(3-chloro-4-fluoro-1H-indol-7-yl)-4-(trifluoromethyl)-1,3-thiazole-2-sulfonamide
CID 170949454
4-chloro-N-(3-cyano-4-fluoro-1H-indol-7-yl)-1,3-thiazole-2-sulfonamide
CID 170949579
N-(3-cyano-4-fluoro-1H-indol-7-yl)-1,3-thiazole-5-sulfonamide
CID 170949693
N-[3-(trifluoromethyl)-1H-indol-7-yl]-1,3-thiazole-5-sulfonamide
CID 170949699
N-(3-cyano-4-methyl-1H-indol-7-yl)-4-(trifluoromethyl)-1,3-thiazole-2-sulfonamide
CID 171055438
N-(3-cyano-4-methyl-1H-indol-7-yl)-2-(trifluoromethyl)-1,3-thiazole-5-sulfonamide
CID 171055440
N-(3-chloro-1H-indol-7-yl)-2-(difluoromethyl)-1,3-thiazole-5-sulfonamide
CID 171055506
N-(3-cyano-4-fluoro-1H-indol-7-yl)-2-methyl-1,3-thiazole-5-sulfonamide
CID 171055512
N-(3-cyano-4-methyl-1H-indol-7-yl)-5-(trifluoromethyl)-1,3-thiazole-2-sulfonamide
CID 171664603

Frequently Asked Questions

What is the IUPAC name of N-[4-methyl-3-(trifluoromethyl)-1H-indol-7-yl]-1,3-thiazole-5-sulfonamide?
The IUPAC name of N-[4-methyl-3-(trifluoromethyl)-1H-indol-7-yl]-1,3-thiazole-5-sulfonamide (CID 170949689) is N-[4-methyl-3-(trifluoromethyl)-1H-indol-7-yl]-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for N-[4-methyl-3-(trifluoromethyl)-1H-indol-7-yl]-1,3-thiazole-5-sulfonamide?
The canonical SMILES for N-[4-methyl-3-(trifluoromethyl)-1H-indol-7-yl]-1,3-thiazole-5-sulfonamide is Cc1ccc(NS(=O)(=O)c2cncs2)c2[nH]cc(C(F)(F)F)c12.
What is the InChIKey of N-[4-methyl-3-(trifluoromethyl)-1H-indol-7-yl]-1,3-thiazole-5-sulfonamide?
The InChIKey is KIVFYYKFPJTMRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F3N3O2S2/c1-7-2-3-9(19-23(20,21)10-5-17-6-22-10)12-11(7)8(4-18-12)13(14,15)16/h2-6,18-19H,1H3.
What are the key properties of N-[4-methyl-3-(trifluoromethyl)-1H-indol-7-yl]-1,3-thiazole-5-sulfonamide?
N-[4-methyl-3-(trifluoromethyl)-1H-indol-7-yl]-1,3-thiazole-5-sulfonamide has a molecular weight of 361.37 g/mol, XLogP of 3.75, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methyl-3-(trifluoromethyl)-1H-indol-7-yl]-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 170949689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).