1,2,3-trimethyl-N-(4-sulfamoylphenyl)indole-5-carboxamide

C18H19N3O3S — CID 35328187

IUPAC1,2,3-trimethyl-N-(4-sulfamoylphenyl)indole-5-carboxamide
SMILESCc1c(C)n(C)c2ccc(C(=O)Nc3ccc(S(N)(=O)=O)cc3)cc12
InChIInChI=1S/C18H19N3O3S/c1-11-12(2)21(3)17-9-4-13(10-16(11)17)18(22)20-14-5-7-15(8-6-14)25(19,23)24/h4-10H,1-3H3,(H,20,22)(H2,19,23,24)
InChIKeyUEXQUCOPLCEBKJ-UHFFFAOYSA-N
MW357.44 g/mol
LogP2.69
Rot. Bonds3

About 1,2,3-trimethyl-N-(4-sulfamoylphenyl)indole-5-carboxamide

1,2,3-trimethyl-N-(4-sulfamoylphenyl)indole-5-carboxamide (PubChem CID 35328187) has the molecular formula C18H19N3O3S and a molecular weight of 357.44 g/mol. Its IUPAC name is 1,2,3-trimethyl-N-(4-sulfamoylphenyl)indole-5-carboxamide.

Molecular Properties

Compound Name1,2,3-trimethyl-N-(4-sulfamoylphenyl)indole-5-carboxamide
PubChem CID35328187
Molecular FormulaC18H19N3O3S
Molecular Weight357.44 g/mol
Exact Mass357.11
IUPAC Name1,2,3-trimethyl-N-(4-sulfamoylphenyl)indole-5-carboxamide
SMILESCc1c(C)n(C)c2ccc(C(=O)Nc3ccc(S(N)(=O)=O)cc3)cc12
InChIInChI=1S/C18H19N3O3S/c1-11-12(2)21(3)17-9-4-13(10-16(11)17)18(22)20-14-5-7-15(8-6-14)25(19,23)24/h4-10H,1-3H3,(H,20,22)(H2,19,23,24)
InChIKeyUEXQUCOPLCEBKJ-UHFFFAOYSA-N
XLogP2.69
TPSA94.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.44
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

N-(4-acetylphenyl)-1,2,3-trimethylindole-5-carboxamide
CID 5128643
4-acetamido-N-(4-sulfamoylphenyl)benzamide
CID 766030
4,5-dichloro-1-methyl-N-(4-sulfamoylphenyl)indole-2-carboxamide
CID 130408598
3-methylsulfonyl-N-(4-sulfamoylphenyl)benzamide
CID 7565696
4-methyl-3,5-dinitro-N-(4-sulfamoylphenyl)benzamide
CID 19174927
methyl 6-[(4-sulfamoylphenyl)carbamoyl]naphthalene-2-carboxylate
CID 59762981
3,5-ditert-butyl-N-(4-sulfamoylphenyl)benzamide
CID 2322744
methyl 2-[(1,2,3-trimethylindole-5-carbonyl)amino]benzoate
CID 1225688
4-(4-methylpiperazin-1-yl)-3-(methylsulfamoyl)-N-(4-sulfamoylphenyl)benzamide
CID 99967016
N-(4-fluorophenyl)-4-methyl-3-sulfamoylbenzamide
CID 9070427
4-pyrrol-1-yl-N-(4-sulfamoylphenyl)benzamide
CID 26718752
5,6-difluoro-1-methyl-N-(4-sulfamoylphenyl)indole-2-carboxamide
CID 145367786

Frequently Asked Questions

What is the IUPAC name of 1,2,3-trimethyl-N-(4-sulfamoylphenyl)indole-5-carboxamide?
The IUPAC name of 1,2,3-trimethyl-N-(4-sulfamoylphenyl)indole-5-carboxamide (CID 35328187) is 1,2,3-trimethyl-N-(4-sulfamoylphenyl)indole-5-carboxamide.
What is the SMILES notation for 1,2,3-trimethyl-N-(4-sulfamoylphenyl)indole-5-carboxamide?
The canonical SMILES for 1,2,3-trimethyl-N-(4-sulfamoylphenyl)indole-5-carboxamide is Cc1c(C)n(C)c2ccc(C(=O)Nc3ccc(S(N)(=O)=O)cc3)cc12.
What is the InChIKey of 1,2,3-trimethyl-N-(4-sulfamoylphenyl)indole-5-carboxamide?
The InChIKey is UEXQUCOPLCEBKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O3S/c1-11-12(2)21(3)17-9-4-13(10-16(11)17)18(22)20-14-5-7-15(8-6-14)25(19,23)24/h4-10H,1-3H3,(H,20,22)(H2,19,23,24).
What are the key properties of 1,2,3-trimethyl-N-(4-sulfamoylphenyl)indole-5-carboxamide?
1,2,3-trimethyl-N-(4-sulfamoylphenyl)indole-5-carboxamide has a molecular weight of 357.44 g/mol, XLogP of 2.69, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3-trimethyl-N-(4-sulfamoylphenyl)indole-5-carboxamide is sourced from PubChem (CID 35328187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).