N-methyl-5-methylsulfonyl-1H-indole-2-carboxamide

C11H12N2O3S — CID 175836307

IUPACN-methyl-5-methylsulfonyl-1H-indole-2-carboxamide
SMILESCNC(=O)c1cc2cc(S(C)(=O)=O)ccc2[nH]1
InChIInChI=1S/C11H12N2O3S/c1-12-11(14)10-6-7-5-8(17(2,15)16)3-4-9(7)13-10/h3-6,13H,1-2H3,(H,12,14)
InChIKeyGEDJNQHWDXQEAX-UHFFFAOYSA-N
MW252.29 g/mol
LogP0.93
Rot. Bonds2

About N-methyl-5-methylsulfonyl-1H-indole-2-carboxamide

N-methyl-5-methylsulfonyl-1H-indole-2-carboxamide (PubChem CID 175836307) has the molecular formula C11H12N2O3S and a molecular weight of 252.29 g/mol. Its IUPAC name is N-methyl-5-methylsulfonyl-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-methyl-5-methylsulfonyl-1H-indole-2-carboxamide
PubChem CID175836307
Molecular FormulaC11H12N2O3S
Molecular Weight252.29 g/mol
Exact Mass252.06
IUPAC NameN-methyl-5-methylsulfonyl-1H-indole-2-carboxamide
SMILESCNC(=O)c1cc2cc(S(C)(=O)=O)ccc2[nH]1
InChIInChI=1S/C11H12N2O3S/c1-12-11(14)10-6-7-5-8(17(2,15)16)3-4-9(7)13-10/h3-6,13H,1-2H3,(H,12,14)
InChIKeyGEDJNQHWDXQEAX-UHFFFAOYSA-N
XLogP0.93
TPSA79.03 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.29
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-amino-N-methyl-1H-indole-2-carboxamide
CID 63117746
[difluoro-[2-(methylcarbamoyl)-1H-indol-5-yl]methyl]phosphonic acid
CID 169170618
N-methyl-5-[(2-methyl-5-nitrophenyl)sulfonylamino]-1H-indole-2-carboxamide
CID 166221435
5-[(4-methoxy-2,6-dimethylphenyl)sulfonylamino]-N-methyl-1H-indole-2-carboxamide
CID 166221438
5-[(5-bromo-2-methylphenyl)sulfonylamino]-N-methyl-1H-indole-2-carboxamide
CID 166221467
5-chloro-N-[2-(4-methylsulfonyl-2-nitroanilino)ethyl]-1H-indole-2-carboxamide
CID 39983871
2-ethyl-5-methylsulfonyl-1H-indole
CID 139760314
methyl 4-fluoro-2-[[2-(methylcarbamoyl)-1H-indol-5-yl]sulfamoyl]benzoate
CID 166221418
5-[(2-cyano-3-methylphenyl)sulfonylamino]-N-methyl-1H-indole-2-carboxamide
CID 166221463
5-[(6-fluoropyrimidin-4-yl)amino]-N-methyl-1H-indole-2-carboxamide
CID 154798871
methyl 2-fluoro-4-methyl-5-[[2-(methylcarbamoyl)-1H-indol-5-yl]sulfamoyl]benzoate
CID 166227197
N-[4-(methylsulfamoyl)phenyl]-1H-indole-2-carboxamide
CID 9188386

Frequently Asked Questions

What is the IUPAC name of N-methyl-5-methylsulfonyl-1H-indole-2-carboxamide?
The IUPAC name of N-methyl-5-methylsulfonyl-1H-indole-2-carboxamide (CID 175836307) is N-methyl-5-methylsulfonyl-1H-indole-2-carboxamide.
What is the SMILES notation for N-methyl-5-methylsulfonyl-1H-indole-2-carboxamide?
The canonical SMILES for N-methyl-5-methylsulfonyl-1H-indole-2-carboxamide is CNC(=O)c1cc2cc(S(C)(=O)=O)ccc2[nH]1.
What is the InChIKey of N-methyl-5-methylsulfonyl-1H-indole-2-carboxamide?
The InChIKey is GEDJNQHWDXQEAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O3S/c1-12-11(14)10-6-7-5-8(17(2,15)16)3-4-9(7)13-10/h3-6,13H,1-2H3,(H,12,14).
What are the key properties of N-methyl-5-methylsulfonyl-1H-indole-2-carboxamide?
N-methyl-5-methylsulfonyl-1H-indole-2-carboxamide has a molecular weight of 252.29 g/mol, XLogP of 0.93, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-methylsulfonyl-1H-indole-2-carboxamide is sourced from PubChem (CID 175836307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).