1-[3-(2,4-difluorophenyl)-1-methylpyrazole-4-carbonyl]-N,N-dimethyl-2,3-dihydroindole-6-sulfonamide

C21H20F2N4O3S — CID 86956982

IUPAC1-[3-(2,4-difluorophenyl)-1-methylpyrazole-4-carbonyl]-N,N-dimethyl-2,3-dihydroindole-6-sulfonamide
SMILESCN(C)S(=O)(=O)c1ccc2c(c1)N(C(=O)c1cn(C)nc1-c1ccc(F)cc1F)CC2
InChIInChI=1S/C21H20F2N4O3S/c1-25(2)31(29,30)15-6-4-13-8-9-27(19(13)11-15)21(28)17-12-26(3)24-20(17)16-7-5-14(22)10-18(16)23/h4-7,10-12H,8-9H2,1-3H3
InChIKeyZSZCVHPOVGKHSQ-UHFFFAOYSA-N
MW446.48 g/mol
LogP2.82
Rot. Bonds4

About 1-[3-(2,4-difluorophenyl)-1-methylpyrazole-4-carbonyl]-N,N-dimethyl-2,3-dihydroindole-6-sulfonamide

1-[3-(2,4-difluorophenyl)-1-methylpyrazole-4-carbonyl]-N,N-dimethyl-2,3-dihydroindole-6-sulfonamide (PubChem CID 86956982) has the molecular formula C21H20F2N4O3S and a molecular weight of 446.48 g/mol. Its IUPAC name is 1-[3-(2,4-difluorophenyl)-1-methylpyrazole-4-carbonyl]-N,N-dimethyl-2,3-dihydroindole-6-sulfonamide.

Molecular Properties

Compound Name1-[3-(2,4-difluorophenyl)-1-methylpyrazole-4-carbonyl]-N,N-dimethyl-2,3-dihydroindole-6-sulfonamide
PubChem CID86956982
Molecular FormulaC21H20F2N4O3S
Molecular Weight446.48 g/mol
Exact Mass446.12
IUPAC Name1-[3-(2,4-difluorophenyl)-1-methylpyrazole-4-carbonyl]-N,N-dimethyl-2,3-dihydroindole-6-sulfonamide
SMILESCN(C)S(=O)(=O)c1ccc2c(c1)N(C(=O)c1cn(C)nc1-c1ccc(F)cc1F)CC2
InChIInChI=1S/C21H20F2N4O3S/c1-25(2)31(29,30)15-6-4-13-8-9-27(19(13)11-15)21(28)17-12-26(3)24-20(17)16-7-5-14(22)10-18(16)23/h4-7,10-12H,8-9H2,1-3H3
InChIKeyZSZCVHPOVGKHSQ-UHFFFAOYSA-N
XLogP2.82
TPSA75.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.48
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(6-chloropyridine-3-carbonyl)-N,N-dimethyl-2,3-dihydroindole-6-sulfonamide
CID 154797051
1-(3,5-dichloro-4-methoxybenzoyl)-N,N-dimethyl-2,3-dihydroindole-6-sulfonamide
CID 86958748
[3-(2,4-difluorophenyl)-1-methylpyrazol-4-yl]-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]methanone
CID 86948059
1-[(2S)-2-aminopropanoyl]-N,N-dimethyl-2,3-dihydroindole-6-sulfonamide
CID 119324906
N-[2-[6-(dimethylsulfamoyl)-2,3-dihydroindole-1-carbonyl]phenyl]benzamide
CID 167970462
[4-[[butyl(methyl)amino]methyl]piperidin-1-yl]-[3-(2,4-difluorophenyl)-1-methylpyrazol-4-yl]methanone
CID 86949308
3-(2,3-dihydroindole-1-carbonyl)-4-fluoro-N-methyl-N-propan-2-ylbenzenesulfonamide
CID 31886530
[3-(2,4-difluorophenyl)-1-methylpyrazol-4-yl]-[(3R)-3-methylpiperazin-1-yl]methanone
CID 124694982
2-[6-(dimethylsulfamoyl)-2,3-dihydroindol-1-yl]acetic acid;hydrochloride
CID 119922066
4-[4-[3-(2,4-difluorophenyl)-1-methylpyrazole-4-carbonyl]piperazin-1-yl]-3-fluorobenzonitrile
CID 86948321
1-(4-chloro-2-fluorobenzoyl)-N,N-diethyl-2,3-dihydroindole-5-sulfonamide
CID 26765921
2-[4-[3-(2,4-difluorophenyl)-1-methylpyrazole-4-carbonyl]-1,4-diazepan-1-yl]benzonitrile
CID 86949117

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2,4-difluorophenyl)-1-methylpyrazole-4-carbonyl]-N,N-dimethyl-2,3-dihydroindole-6-sulfonamide?
The IUPAC name of 1-[3-(2,4-difluorophenyl)-1-methylpyrazole-4-carbonyl]-N,N-dimethyl-2,3-dihydroindole-6-sulfonamide (CID 86956982) is 1-[3-(2,4-difluorophenyl)-1-methylpyrazole-4-carbonyl]-N,N-dimethyl-2,3-dihydroindole-6-sulfonamide.
What is the SMILES notation for 1-[3-(2,4-difluorophenyl)-1-methylpyrazole-4-carbonyl]-N,N-dimethyl-2,3-dihydroindole-6-sulfonamide?
The canonical SMILES for 1-[3-(2,4-difluorophenyl)-1-methylpyrazole-4-carbonyl]-N,N-dimethyl-2,3-dihydroindole-6-sulfonamide is CN(C)S(=O)(=O)c1ccc2c(c1)N(C(=O)c1cn(C)nc1-c1ccc(F)cc1F)CC2.
What is the InChIKey of 1-[3-(2,4-difluorophenyl)-1-methylpyrazole-4-carbonyl]-N,N-dimethyl-2,3-dihydroindole-6-sulfonamide?
The InChIKey is ZSZCVHPOVGKHSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F2N4O3S/c1-25(2)31(29,30)15-6-4-13-8-9-27(19(13)11-15)21(28)17-12-26(3)24-20(17)16-7-5-14(22)10-18(16)23/h4-7,10-12H,8-9H2,1-3H3.
What are the key properties of 1-[3-(2,4-difluorophenyl)-1-methylpyrazole-4-carbonyl]-N,N-dimethyl-2,3-dihydroindole-6-sulfonamide?
1-[3-(2,4-difluorophenyl)-1-methylpyrazole-4-carbonyl]-N,N-dimethyl-2,3-dihydroindole-6-sulfonamide has a molecular weight of 446.48 g/mol, XLogP of 2.82, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2,4-difluorophenyl)-1-methylpyrazole-4-carbonyl]-N,N-dimethyl-2,3-dihydroindole-6-sulfonamide is sourced from PubChem (CID 86956982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).