1-(4-methylphenyl)sulfonyl-4,5,6,7-tetrahydroindole-6-carboxamide

C16H18N2O3S — CID 171650264

IUPAC1-(4-methylphenyl)sulfonyl-4,5,6,7-tetrahydroindole-6-carboxamide
SMILESCc1ccc(S(=O)(=O)n2ccc3c2CC(C(N)=O)CC3)cc1
InChIInChI=1S/C16H18N2O3S/c1-11-2-6-14(7-3-11)22(20,21)18-9-8-12-4-5-13(16(17)19)10-15(12)18/h2-3,6-9,13H,4-5,10H2,1H3,(H2,17,19)
InChIKeyOEEQDDZMOYNKKT-UHFFFAOYSA-N
MW318.40 g/mol
LogP1.62
Rot. Bonds3

About 1-(4-methylphenyl)sulfonyl-4,5,6,7-tetrahydroindole-6-carboxamide

1-(4-methylphenyl)sulfonyl-4,5,6,7-tetrahydroindole-6-carboxamide (PubChem CID 171650264) has the molecular formula C16H18N2O3S and a molecular weight of 318.40 g/mol. Its IUPAC name is 1-(4-methylphenyl)sulfonyl-4,5,6,7-tetrahydroindole-6-carboxamide.

Molecular Properties

Compound Name1-(4-methylphenyl)sulfonyl-4,5,6,7-tetrahydroindole-6-carboxamide
PubChem CID171650264
Molecular FormulaC16H18N2O3S
Molecular Weight318.40 g/mol
Exact Mass318.10
IUPAC Name1-(4-methylphenyl)sulfonyl-4,5,6,7-tetrahydroindole-6-carboxamide
SMILESCc1ccc(S(=O)(=O)n2ccc3c2CC(C(N)=O)CC3)cc1
InChIInChI=1S/C16H18N2O3S/c1-11-2-6-14(7-3-11)22(20,21)18-9-8-12-4-5-13(16(17)19)10-15(12)18/h2-3,6-9,13H,4-5,10H2,1H3,(H2,17,19)
InChIKeyOEEQDDZMOYNKKT-UHFFFAOYSA-N
XLogP1.62
TPSA82.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.40
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(1,1-difluoroethyl)-1-(4-methylphenyl)sulfonyl-4,5,6,7-tetrahydroindole
CID 171650185
2-methyl-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 141218443
(6R)-6-(difluoromethyl)-6-methoxy-1-(4-methylphenyl)sulfonyl-5,7-dihydro-4H-indole
CID 177334257
2-[1-(4-methylphenyl)sulfonyl-4,5,6,7-tetrahydroindol-4-yl]-2-pyrrolidin-1-ylacetaldehyde
CID 87974669
2,3-dimethyl-1-(4-methylphenyl)sulfonylpyrrole
CID 102326520
1-[2-(4-methylphenyl)sulfonylethyl]piperidine-4-carboxamide
CID 23735152
1-(4-methylsulfonylphenyl)sulfonylpiperidine-4-carboxamide
CID 31534108
5-methyl-1-(4-methylphenyl)sulfonylspiro[4,5,6,8-tetrahydropyrrolo[2,3-b]azepine-7,1'-cyclopropane]
CID 155050594
[(2R)-1-(4-methylphenyl)sulfonylaziridin-2-yl]methanol
CID 15202390
sodium 1-(4-methylphenyl)sulfonylazetidine-3-carboxylate
CID 140937929
[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-(4-methylpiperazin-1-yl)methanone
CID 1327862
4-methylbenzenesulfonic acid;(3R)-piperidine-3-carboxamide
CID 172751245

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)sulfonyl-4,5,6,7-tetrahydroindole-6-carboxamide?
The IUPAC name of 1-(4-methylphenyl)sulfonyl-4,5,6,7-tetrahydroindole-6-carboxamide (CID 171650264) is 1-(4-methylphenyl)sulfonyl-4,5,6,7-tetrahydroindole-6-carboxamide.
What is the SMILES notation for 1-(4-methylphenyl)sulfonyl-4,5,6,7-tetrahydroindole-6-carboxamide?
The canonical SMILES for 1-(4-methylphenyl)sulfonyl-4,5,6,7-tetrahydroindole-6-carboxamide is Cc1ccc(S(=O)(=O)n2ccc3c2CC(C(N)=O)CC3)cc1.
What is the InChIKey of 1-(4-methylphenyl)sulfonyl-4,5,6,7-tetrahydroindole-6-carboxamide?
The InChIKey is OEEQDDZMOYNKKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3S/c1-11-2-6-14(7-3-11)22(20,21)18-9-8-12-4-5-13(16(17)19)10-15(12)18/h2-3,6-9,13H,4-5,10H2,1H3,(H2,17,19).
What are the key properties of 1-(4-methylphenyl)sulfonyl-4,5,6,7-tetrahydroindole-6-carboxamide?
1-(4-methylphenyl)sulfonyl-4,5,6,7-tetrahydroindole-6-carboxamide has a molecular weight of 318.40 g/mol, XLogP of 1.62, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)sulfonyl-4,5,6,7-tetrahydroindole-6-carboxamide is sourced from PubChem (CID 171650264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).