7-[(4-methyl-1,3-thiazol-2-yl)sulfonylamino]-1H-indole-2-carboxamide

C13H12N4O3S2 — CID 67486748

IUPAC7-[(4-methyl-1,3-thiazol-2-yl)sulfonylamino]-1H-indole-2-carboxamide
SMILESCc1csc(S(=O)(=O)Nc2cccc3cc(C(N)=O)[nH]c23)n1
InChIInChI=1S/C13H12N4O3S2/c1-7-6-21-13(15-7)22(19,20)17-9-4-2-3-8-5-10(12(14)18)16-11(8)9/h2-6,16-17H,1H3,(H2,14,18)
InChIKeyHWNMJVWRWCFXKU-UHFFFAOYSA-N
MW336.40 g/mol
LogP1.83
Rot. Bonds4

About 7-[(4-methyl-1,3-thiazol-2-yl)sulfonylamino]-1H-indole-2-carboxamide

7-[(4-methyl-1,3-thiazol-2-yl)sulfonylamino]-1H-indole-2-carboxamide (PubChem CID 67486748) has the molecular formula C13H12N4O3S2 and a molecular weight of 336.40 g/mol. Its IUPAC name is 7-[(4-methyl-1,3-thiazol-2-yl)sulfonylamino]-1H-indole-2-carboxamide.

Molecular Properties

Compound Name7-[(4-methyl-1,3-thiazol-2-yl)sulfonylamino]-1H-indole-2-carboxamide
PubChem CID67486748
Molecular FormulaC13H12N4O3S2
Molecular Weight336.40 g/mol
Exact Mass336.04
IUPAC Name7-[(4-methyl-1,3-thiazol-2-yl)sulfonylamino]-1H-indole-2-carboxamide
SMILESCc1csc(S(=O)(=O)Nc2cccc3cc(C(N)=O)[nH]c23)n1
InChIInChI=1S/C13H12N4O3S2/c1-7-6-21-13(15-7)22(19,20)17-9-4-2-3-8-5-10(12(14)18)16-11(8)9/h2-6,16-17H,1H3,(H2,14,18)
InChIKeyHWNMJVWRWCFXKU-UHFFFAOYSA-N
XLogP1.83
TPSA117.94 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 51.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(3-cyano-4-methyl-1H-indol-7-yl)sulfamoyl]-1,3-thiazole-4-carboxamide
CID 171055458
7-[propan-2-yl(thiophen-2-ylsulfonyl)amino]-1H-indole-2-carboxamide
CID 57475958
7-chloro-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-1H-indole-2-carboxamide
CID 108791702
7-acetamido-N-(N'-methylcarbamimidoyl)-1H-indole-2-carboxamide
CID 70216865
N-[2-[4-(2-hydroxy-2-methylpropyl)piperidine-1-carbonyl]-1H-indol-7-yl]-4-methoxybenzenesulfonamide
CID 70848118
N-[(1-benzyl-4-hydroxypiperidin-4-yl)methyl]-7-[(3-methylthiophen-2-yl)sulfonylamino]-1H-indole-2-carboxamide
CID 67486874
2-[7-[(3-methylthiophen-2-yl)sulfonylamino]-1H-indol-2-yl]-4,5-dihydro-1,3-thiazole-5-carboxylic acid
CID 67486980
N-(2-benzylsulfanylethyl)-7-(thiophen-2-ylsulfonylamino)-1H-indole-2-carboxamide
CID 70883569
7-[4-(trifluoromethyl)phenyl]-1H-indole-2-carboxamide
CID 174789761
8-(methylamino)-2-oxo-1H-quinoline-3-carboxamide
CID 156628535
2-[2-[7-[(3-ethylthiophen-2-yl)sulfonylamino]-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-5-yl]acetic acid
CID 67487385
3-amino-4-[(4-methyl-1,3-thiazol-2-yl)sulfamoyl]benzoic acid
CID 81471188

Frequently Asked Questions

What is the IUPAC name of 7-[(4-methyl-1,3-thiazol-2-yl)sulfonylamino]-1H-indole-2-carboxamide?
The IUPAC name of 7-[(4-methyl-1,3-thiazol-2-yl)sulfonylamino]-1H-indole-2-carboxamide (CID 67486748) is 7-[(4-methyl-1,3-thiazol-2-yl)sulfonylamino]-1H-indole-2-carboxamide.
What is the SMILES notation for 7-[(4-methyl-1,3-thiazol-2-yl)sulfonylamino]-1H-indole-2-carboxamide?
The canonical SMILES for 7-[(4-methyl-1,3-thiazol-2-yl)sulfonylamino]-1H-indole-2-carboxamide is Cc1csc(S(=O)(=O)Nc2cccc3cc(C(N)=O)[nH]c23)n1.
What is the InChIKey of 7-[(4-methyl-1,3-thiazol-2-yl)sulfonylamino]-1H-indole-2-carboxamide?
The InChIKey is HWNMJVWRWCFXKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O3S2/c1-7-6-21-13(15-7)22(19,20)17-9-4-2-3-8-5-10(12(14)18)16-11(8)9/h2-6,16-17H,1H3,(H2,14,18).
What are the key properties of 7-[(4-methyl-1,3-thiazol-2-yl)sulfonylamino]-1H-indole-2-carboxamide?
7-[(4-methyl-1,3-thiazol-2-yl)sulfonylamino]-1H-indole-2-carboxamide has a molecular weight of 336.40 g/mol, XLogP of 1.83, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(4-methyl-1,3-thiazol-2-yl)sulfonylamino]-1H-indole-2-carboxamide is sourced from PubChem (CID 67486748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).