N-(2-methoxy-5-sulfamoylphenyl)-6-methyl-1H-indole-2-carboxamide

C17H17N3O4S — CID 52567796

IUPACN-(2-methoxy-5-sulfamoylphenyl)-6-methyl-1H-indole-2-carboxamide
SMILESCOc1ccc(S(N)(=O)=O)cc1NC(=O)c1cc2ccc(C)cc2[nH]1
InChIInChI=1S/C17H17N3O4S/c1-10-3-4-11-8-15(19-13(11)7-10)17(21)20-14-9-12(25(18,22)23)5-6-16(14)24-2/h3-9,19H,1-2H3,(H,20,21)(H2,18,22,23)
InChIKeyLFGLAGWLAGTYMD-UHFFFAOYSA-N
MW359.41 g/mol
LogP2.38
Rot. Bonds4

About N-(2-methoxy-5-sulfamoylphenyl)-6-methyl-1H-indole-2-carboxamide

N-(2-methoxy-5-sulfamoylphenyl)-6-methyl-1H-indole-2-carboxamide (PubChem CID 52567796) has the molecular formula C17H17N3O4S and a molecular weight of 359.41 g/mol. Its IUPAC name is N-(2-methoxy-5-sulfamoylphenyl)-6-methyl-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-(2-methoxy-5-sulfamoylphenyl)-6-methyl-1H-indole-2-carboxamide
PubChem CID52567796
Molecular FormulaC17H17N3O4S
Molecular Weight359.41 g/mol
Exact Mass359.09
IUPAC NameN-(2-methoxy-5-sulfamoylphenyl)-6-methyl-1H-indole-2-carboxamide
SMILESCOc1ccc(S(N)(=O)=O)cc1NC(=O)c1cc2ccc(C)cc2[nH]1
InChIInChI=1S/C17H17N3O4S/c1-10-3-4-11-8-15(19-13(11)7-10)17(21)20-14-9-12(25(18,22)23)5-6-16(14)24-2/h3-9,19H,1-2H3,(H,20,21)(H2,18,22,23)
InChIKeyLFGLAGWLAGTYMD-UHFFFAOYSA-N
XLogP2.38
TPSA114.28 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.41
LogP ≤ 52.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methoxy-5-sulfamoylphenyl)benzamide
CID 2985802
N-(2-chloro-4-methylphenyl)-2-methoxy-5-sulfamoylbenzamide
CID 55348812
N-(5-acetamido-2-methoxyphenyl)-6-methoxy-1H-indole-2-carboxamide
CID 46445599
N-(2-fluoro-5-methylphenyl)-2-methoxy-5-sulfamoylbenzamide
CID 35606335
N-(2-methoxy-5-sulfamoylphenyl)furan-3-carboxamide
CID 47129641
N-[(3,4-dimethoxyphenyl)methyl]-6-methyl-1H-indole-2-carboxamide
CID 113207316
N-(2-ethoxyphenyl)-6-methyl-1H-indole-2-carboxamide
CID 113207367
N-(2-methoxy-5-sulfamoylphenyl)pyridazine-4-carboxamide
CID 115742519
N-(5-chloro-2-methoxyphenyl)-1H-indole-2-carboxamide
CID 9068762
5-chloro-N-(5-chloro-2-methoxyphenyl)-1H-indole-2-carboxamide
CID 113207229
N-(2-methoxy-5-sulfamoylphenyl)-2-(propan-2-ylamino)acetamide
CID 60842548
N-[2-methoxy-5-(methylsulfamoyl)phenyl]-4-methylbenzamide
CID 6459882

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-5-sulfamoylphenyl)-6-methyl-1H-indole-2-carboxamide?
The IUPAC name of N-(2-methoxy-5-sulfamoylphenyl)-6-methyl-1H-indole-2-carboxamide (CID 52567796) is N-(2-methoxy-5-sulfamoylphenyl)-6-methyl-1H-indole-2-carboxamide.
What is the SMILES notation for N-(2-methoxy-5-sulfamoylphenyl)-6-methyl-1H-indole-2-carboxamide?
The canonical SMILES for N-(2-methoxy-5-sulfamoylphenyl)-6-methyl-1H-indole-2-carboxamide is COc1ccc(S(N)(=O)=O)cc1NC(=O)c1cc2ccc(C)cc2[nH]1.
What is the InChIKey of N-(2-methoxy-5-sulfamoylphenyl)-6-methyl-1H-indole-2-carboxamide?
The InChIKey is LFGLAGWLAGTYMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O4S/c1-10-3-4-11-8-15(19-13(11)7-10)17(21)20-14-9-12(25(18,22)23)5-6-16(14)24-2/h3-9,19H,1-2H3,(H,20,21)(H2,18,22,23).
What are the key properties of N-(2-methoxy-5-sulfamoylphenyl)-6-methyl-1H-indole-2-carboxamide?
N-(2-methoxy-5-sulfamoylphenyl)-6-methyl-1H-indole-2-carboxamide has a molecular weight of 359.41 g/mol, XLogP of 2.38, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-5-sulfamoylphenyl)-6-methyl-1H-indole-2-carboxamide is sourced from PubChem (CID 52567796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).