1-(1-cyclohexyl-5-methylpyrazole-4-carbonyl)-N,N-diethyl-2,3-dihydroindole-5-sulfonamide

C23H32N4O3S — CID 139001138

IUPAC1-(1-cyclohexyl-5-methylpyrazole-4-carbonyl)-N,N-diethyl-2,3-dihydroindole-5-sulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)c1cnn(C2CCCCC2)c1C
InChIInChI=1S/C23H32N4O3S/c1-4-25(5-2)31(29,30)20-11-12-22-18(15-20)13-14-26(22)23(28)21-16-24-27(17(21)3)19-9-7-6-8-10-19/h11-12,15-16,19H,4-10,13-14H2,1-3H3
InChIKeyMGWSSIFGOLUSES-UHFFFAOYSA-N
MW444.60 g/mol
LogP3.93
Rot. Bonds6

About 1-(1-cyclohexyl-5-methylpyrazole-4-carbonyl)-N,N-diethyl-2,3-dihydroindole-5-sulfonamide

1-(1-cyclohexyl-5-methylpyrazole-4-carbonyl)-N,N-diethyl-2,3-dihydroindole-5-sulfonamide (PubChem CID 139001138) has the molecular formula C23H32N4O3S and a molecular weight of 444.60 g/mol. Its IUPAC name is 1-(1-cyclohexyl-5-methylpyrazole-4-carbonyl)-N,N-diethyl-2,3-dihydroindole-5-sulfonamide.

Molecular Properties

Compound Name1-(1-cyclohexyl-5-methylpyrazole-4-carbonyl)-N,N-diethyl-2,3-dihydroindole-5-sulfonamide
PubChem CID139001138
Molecular FormulaC23H32N4O3S
Molecular Weight444.60 g/mol
Exact Mass444.22
IUPAC Name1-(1-cyclohexyl-5-methylpyrazole-4-carbonyl)-N,N-diethyl-2,3-dihydroindole-5-sulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)c1cnn(C2CCCCC2)c1C
InChIInChI=1S/C23H32N4O3S/c1-4-25(5-2)31(29,30)20-11-12-22-18(15-20)13-14-26(22)23(28)21-16-24-27(17(21)3)19-9-7-6-8-10-19/h11-12,15-16,19H,4-10,13-14H2,1-3H3
InChIKeyMGWSSIFGOLUSES-UHFFFAOYSA-N
XLogP3.93
TPSA75.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.60
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-(1-cyclohexyl-5-methylpyrazole-4-carbonyl)-N,N-diethyl-2,3-dihydroindole-5-sulfonamide with MolForge

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Related Compounds

1-(2,4-dichlorobenzoyl)-N,N-diethyl-2,3-dihydroindole-5-sulfonamide
CID 46636171
N,N-diethyl-1-(piperidine-3-carbonyl)-2,3-dihydroindole-5-sulfonamide
CID 119274837
1-(2,5-dimethylbenzoyl)-N,N-diethyl-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 55435480
1-(4-chloro-2-fluorobenzoyl)-N,N-diethyl-2,3-dihydroindole-5-sulfonamide
CID 26765921
1-(2-cyclopentyloxyacetyl)-N,N-diethyl-2,3-dihydroindole-5-sulfonamide
CID 47046893
N,N-diethyl-1-(6-methylpyridine-2-carbonyl)-2,3-dihydroindole-5-sulfonamide
CID 32784650
N,N-diethyl-1-(pyridine-3-carbonyl)-2,3-dihydroindole-5-sulfonamide
CID 51255059
1-(2-bromo-5-fluorobenzoyl)-N,N-diethyl-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 55435206
N,N-diethyl-1-(3-methylthiophene-2-carbonyl)-2,3-dihydroindole-5-sulfonamide
CID 46636160
1-(3,4-dichlorobenzoyl)-N,N-diethyl-2,3-dihydroindole-5-sulfonamide
CID 26765696
N-butyl-1-(cyclobutanecarbonyl)-N-ethyl-2,3-dihydroindole-5-sulfonamide
CID 15999100
N,N-diethyl-3-(6-fluoro-3,4-dihydro-2H-quinoline-1-carbonyl)-4-methylbenzenesulfonamide
CID 55614517

Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclohexyl-5-methylpyrazole-4-carbonyl)-N,N-diethyl-2,3-dihydroindole-5-sulfonamide?
The IUPAC name of 1-(1-cyclohexyl-5-methylpyrazole-4-carbonyl)-N,N-diethyl-2,3-dihydroindole-5-sulfonamide (CID 139001138) is 1-(1-cyclohexyl-5-methylpyrazole-4-carbonyl)-N,N-diethyl-2,3-dihydroindole-5-sulfonamide.
What is the SMILES notation for 1-(1-cyclohexyl-5-methylpyrazole-4-carbonyl)-N,N-diethyl-2,3-dihydroindole-5-sulfonamide?
The canonical SMILES for 1-(1-cyclohexyl-5-methylpyrazole-4-carbonyl)-N,N-diethyl-2,3-dihydroindole-5-sulfonamide is CCN(CC)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)c1cnn(C2CCCCC2)c1C.
What is the InChIKey of 1-(1-cyclohexyl-5-methylpyrazole-4-carbonyl)-N,N-diethyl-2,3-dihydroindole-5-sulfonamide?
The InChIKey is MGWSSIFGOLUSES-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N4O3S/c1-4-25(5-2)31(29,30)20-11-12-22-18(15-20)13-14-26(22)23(28)21-16-24-27(17(21)3)19-9-7-6-8-10-19/h11-12,15-16,19H,4-10,13-14H2,1-3H3.
What are the key properties of 1-(1-cyclohexyl-5-methylpyrazole-4-carbonyl)-N,N-diethyl-2,3-dihydroindole-5-sulfonamide?
1-(1-cyclohexyl-5-methylpyrazole-4-carbonyl)-N,N-diethyl-2,3-dihydroindole-5-sulfonamide has a molecular weight of 444.60 g/mol, XLogP of 3.93, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclohexyl-5-methylpyrazole-4-carbonyl)-N,N-diethyl-2,3-dihydroindole-5-sulfonamide is sourced from PubChem (CID 139001138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).