N-methyl-5-[(2-methyl-5-nitrophenyl)sulfonylamino]-1H-indole-2-carboxamide

C17H16N4O5S — CID 166221435

IUPACN-methyl-5-[(2-methyl-5-nitrophenyl)sulfonylamino]-1H-indole-2-carboxamide
SMILESCNC(=O)c1cc2cc(NS(=O)(=O)c3cc([N+](=O)[O-])ccc3C)ccc2[nH]1
InChIInChI=1S/C17H16N4O5S/c1-10-3-5-13(21(23)24)9-16(10)27(25,26)20-12-4-6-14-11(7-12)8-15(19-14)17(22)18-2/h3-9,19-20H,1-2H3,(H,18,22)
InChIKeyACUWSVVSQWAGIU-UHFFFAOYSA-N
MW388.41 g/mol
LogP2.54
Rot. Bonds5

About N-methyl-5-[(2-methyl-5-nitrophenyl)sulfonylamino]-1H-indole-2-carboxamide

N-methyl-5-[(2-methyl-5-nitrophenyl)sulfonylamino]-1H-indole-2-carboxamide (PubChem CID 166221435) has the molecular formula C17H16N4O5S and a molecular weight of 388.41 g/mol. Its IUPAC name is N-methyl-5-[(2-methyl-5-nitrophenyl)sulfonylamino]-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-methyl-5-[(2-methyl-5-nitrophenyl)sulfonylamino]-1H-indole-2-carboxamide
PubChem CID166221435
Molecular FormulaC17H16N4O5S
Molecular Weight388.41 g/mol
Exact Mass388.08
IUPAC NameN-methyl-5-[(2-methyl-5-nitrophenyl)sulfonylamino]-1H-indole-2-carboxamide
SMILESCNC(=O)c1cc2cc(NS(=O)(=O)c3cc([N+](=O)[O-])ccc3C)ccc2[nH]1
InChIInChI=1S/C17H16N4O5S/c1-10-3-5-13(21(23)24)9-16(10)27(25,26)20-12-4-6-14-11(7-12)8-15(19-14)17(22)18-2/h3-9,19-20H,1-2H3,(H,18,22)
InChIKeyACUWSVVSQWAGIU-UHFFFAOYSA-N
XLogP2.54
TPSA134.20 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.41
LogP ≤ 52.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-[(5-bromo-2-methylphenyl)sulfonylamino]-N-methyl-1H-indole-2-carboxamide
CID 166221467
5-[(2-cyano-3-methylphenyl)sulfonylamino]-N-methyl-1H-indole-2-carboxamide
CID 166221463
methyl 2-fluoro-4-methyl-5-[[2-(methylcarbamoyl)-1H-indol-5-yl]sulfamoyl]benzoate
CID 166227197
2-methyl-N-(4-methyl-3-nitrophenyl)-5-nitrobenzenesulfonamide
CID 2796554
N-(4-fluorophenyl)-2-methyl-5-nitrobenzenesulfonamide
CID 2796540
N-(4-iodophenyl)-2-methyl-5-nitrobenzenesulfonamide
CID 2920673
2-carboxy-5-[(2-methyl-5-nitrophenyl)sulfonylamino]phenolate
CID 54725190
methyl 4-fluoro-2-[[2-(methylcarbamoyl)-1H-indol-5-yl]sulfamoyl]benzoate
CID 166221418
2-methyl-5-nitro-N-(2-oxochromen-6-yl)benzenesulfonamide
CID 55865536
N-methyl-5-methylsulfonyl-1H-indole-2-carboxamide
CID 175836307
2-methyl-5-nitro-N-[4-(phenylsulfamoyl)phenyl]benzenesulfonamide
CID 21173747
N-(2-formyl-1H-indol-5-yl)-5-nitro-1H-indole-2-carboxamide
CID 89298247

Frequently Asked Questions

What is the IUPAC name of N-methyl-5-[(2-methyl-5-nitrophenyl)sulfonylamino]-1H-indole-2-carboxamide?
The IUPAC name of N-methyl-5-[(2-methyl-5-nitrophenyl)sulfonylamino]-1H-indole-2-carboxamide (CID 166221435) is N-methyl-5-[(2-methyl-5-nitrophenyl)sulfonylamino]-1H-indole-2-carboxamide.
What is the SMILES notation for N-methyl-5-[(2-methyl-5-nitrophenyl)sulfonylamino]-1H-indole-2-carboxamide?
The canonical SMILES for N-methyl-5-[(2-methyl-5-nitrophenyl)sulfonylamino]-1H-indole-2-carboxamide is CNC(=O)c1cc2cc(NS(=O)(=O)c3cc([N+](=O)[O-])ccc3C)ccc2[nH]1.
What is the InChIKey of N-methyl-5-[(2-methyl-5-nitrophenyl)sulfonylamino]-1H-indole-2-carboxamide?
The InChIKey is ACUWSVVSQWAGIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O5S/c1-10-3-5-13(21(23)24)9-16(10)27(25,26)20-12-4-6-14-11(7-12)8-15(19-14)17(22)18-2/h3-9,19-20H,1-2H3,(H,18,22).
What are the key properties of N-methyl-5-[(2-methyl-5-nitrophenyl)sulfonylamino]-1H-indole-2-carboxamide?
N-methyl-5-[(2-methyl-5-nitrophenyl)sulfonylamino]-1H-indole-2-carboxamide has a molecular weight of 388.41 g/mol, XLogP of 2.54, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-[(2-methyl-5-nitrophenyl)sulfonylamino]-1H-indole-2-carboxamide is sourced from PubChem (CID 166221435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).