N-(4-methyl-3-sulfamoylphenyl)-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide

C20H21N3O3S — CID 46809541

IUPACN-(4-methyl-3-sulfamoylphenyl)-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
SMILESCc1ccc(NC(=O)c2ccc3[nH]c4c(c3c2)CCCC4)cc1S(N)(=O)=O
InChIInChI=1S/C20H21N3O3S/c1-12-6-8-14(11-19(12)27(21,25)26)22-20(24)13-7-9-18-16(10-13)15-4-2-3-5-17(15)23-18/h6-11,23H,2-5H2,1H3,(H,22,24)(H2,21,25,26)
InChIKeyJURXMMRFXUVDCC-UHFFFAOYSA-N
MW383.47 g/mol
LogP3.25
Rot. Bonds3

About N-(4-methyl-3-sulfamoylphenyl)-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide

N-(4-methyl-3-sulfamoylphenyl)-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide (PubChem CID 46809541) has the molecular formula C20H21N3O3S and a molecular weight of 383.47 g/mol. Its IUPAC name is N-(4-methyl-3-sulfamoylphenyl)-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide.

Molecular Properties

Compound NameN-(4-methyl-3-sulfamoylphenyl)-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
PubChem CID46809541
Molecular FormulaC20H21N3O3S
Molecular Weight383.47 g/mol
Exact Mass383.13
IUPAC NameN-(4-methyl-3-sulfamoylphenyl)-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
SMILESCc1ccc(NC(=O)c2ccc3[nH]c4c(c3c2)CCCC4)cc1S(N)(=O)=O
InChIInChI=1S/C20H21N3O3S/c1-12-6-8-14(11-19(12)27(21,25)26)22-20(24)13-7-9-18-16(10-13)15-4-2-3-5-17(15)23-18/h6-11,23H,2-5H2,1H3,(H,22,24)(H2,21,25,26)
InChIKeyJURXMMRFXUVDCC-UHFFFAOYSA-N
XLogP3.25
TPSA105.05 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.47
LogP ≤ 53.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-acetamidophenyl)-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 27258967
3,4-dimethoxy-N-(6,7,8,9-tetrahydro-5H-carbazol-3-yl)benzamide
CID 2107760
N-[3-[(4-fluorophenyl)sulfamoyl]-4-methylphenyl]-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 4837245
N-(2-methyl-1-oxo-3,4-dihydroisoquinolin-7-yl)-5,6,7,8,9,10-hexahydrocyclohepta[b]indole-2-carboxamide
CID 166220279
N-(1-propan-2-ylpyrazol-4-yl)-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 71933883
N-(4-fluorophenyl)-4-methyl-3-sulfamoylbenzamide
CID 9070427
N-[4-(4-ethylpiperazin-1-yl)phenyl]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 42239539
N-(4-methyl-2-pyridinyl)-5,6,7,8,9,10-hexahydrocyclohepta[b]indole-2-carboxamide
CID 47027656
2-methylsulfanyl-N-(6,7,8,9-tetrahydro-5H-carbazol-3-yl)pyrimidine-5-carboxamide
CID 16676147
N-[3-(1-methyltetrazol-5-yl)phenyl]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 26122569
N-pentan-3-yl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 46560236
N-prop-2-ynyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 18109932

Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-3-sulfamoylphenyl)-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide?
The IUPAC name of N-(4-methyl-3-sulfamoylphenyl)-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide (CID 46809541) is N-(4-methyl-3-sulfamoylphenyl)-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide.
What is the SMILES notation for N-(4-methyl-3-sulfamoylphenyl)-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide?
The canonical SMILES for N-(4-methyl-3-sulfamoylphenyl)-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide is Cc1ccc(NC(=O)c2ccc3[nH]c4c(c3c2)CCCC4)cc1S(N)(=O)=O.
What is the InChIKey of N-(4-methyl-3-sulfamoylphenyl)-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide?
The InChIKey is JURXMMRFXUVDCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3S/c1-12-6-8-14(11-19(12)27(21,25)26)22-20(24)13-7-9-18-16(10-13)15-4-2-3-5-17(15)23-18/h6-11,23H,2-5H2,1H3,(H,22,24)(H2,21,25,26).
What are the key properties of N-(4-methyl-3-sulfamoylphenyl)-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide?
N-(4-methyl-3-sulfamoylphenyl)-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide has a molecular weight of 383.47 g/mol, XLogP of 3.25, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-3-sulfamoylphenyl)-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide is sourced from PubChem (CID 46809541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).