1-(difluoromethyl)-5-methyl-N-[[1-(3-methylbutanoyl)-2,3-dihydroindol-5-yl]methyl]pyrazole-4-sulfonamide

C19H24F2N4O3S — CID 53092652

IUPAC1-(difluoromethyl)-5-methyl-N-[[1-(3-methylbutanoyl)-2,3-dihydroindol-5-yl]methyl]pyrazole-4-sulfonamide
SMILESCc1c(S(=O)(=O)NCc2ccc3c(c2)CCN3C(=O)CC(C)C)cnn1C(F)F
InChIInChI=1S/C19H24F2N4O3S/c1-12(2)8-18(26)24-7-6-15-9-14(4-5-16(15)24)10-23-29(27,28)17-11-22-25(13(17)3)19(20)21/h4-5,9,11-12,19,23H,6-8,10H2,1-3H3
InChIKeyBWWRFJMEMPMXPF-UHFFFAOYSA-N
MW426.49 g/mol
LogP3.00
Rot. Bonds7

About 1-(difluoromethyl)-5-methyl-N-[[1-(3-methylbutanoyl)-2,3-dihydroindol-5-yl]methyl]pyrazole-4-sulfonamide

1-(difluoromethyl)-5-methyl-N-[[1-(3-methylbutanoyl)-2,3-dihydroindol-5-yl]methyl]pyrazole-4-sulfonamide (PubChem CID 53092652) has the molecular formula C19H24F2N4O3S and a molecular weight of 426.49 g/mol. Its IUPAC name is 1-(difluoromethyl)-5-methyl-N-[[1-(3-methylbutanoyl)-2,3-dihydroindol-5-yl]methyl]pyrazole-4-sulfonamide.

Molecular Properties

Compound Name1-(difluoromethyl)-5-methyl-N-[[1-(3-methylbutanoyl)-2,3-dihydroindol-5-yl]methyl]pyrazole-4-sulfonamide
PubChem CID53092652
Molecular FormulaC19H24F2N4O3S
Molecular Weight426.49 g/mol
Exact Mass426.15
IUPAC Name1-(difluoromethyl)-5-methyl-N-[[1-(3-methylbutanoyl)-2,3-dihydroindol-5-yl]methyl]pyrazole-4-sulfonamide
SMILESCc1c(S(=O)(=O)NCc2ccc3c(c2)CCN3C(=O)CC(C)C)cnn1C(F)F
InChIInChI=1S/C19H24F2N4O3S/c1-12(2)8-18(26)24-7-6-15-9-14(4-5-16(15)24)10-23-29(27,28)17-11-22-25(13(17)3)19(20)21/h4-5,9,11-12,19,23H,6-8,10H2,1-3H3
InChIKeyBWWRFJMEMPMXPF-UHFFFAOYSA-N
XLogP3.00
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.49
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(difluoromethyl)-N-[[1-(4-methoxybenzoyl)-2,3-dihydroindol-6-yl]methyl]-5-methylpyrazole-4-sulfonamide
CID 53102493
N-[[1-(3-methylbutanoyl)-2,3-dihydroindol-5-yl]methyl]propane-1-sulfonamide
CID 53092613
N-[[1-(3-methylbutanoyl)-2,3-dihydroindol-5-yl]methyl]-2,1,3-benzothiadiazole-4-sulfonamide
CID 53092628
3-chloro-4-fluoro-N-[[1-(3-methylbutanoyl)-2,3-dihydroindol-5-yl]methyl]benzenesulfonamide
CID 53092634
N-[(1-acetyl-2,3-dihydroindol-5-yl)methyl]-2-fluorobenzenesulfonamide
CID 53092465
3-methyl-N-[4-[[1-(2-methylpropanoyl)-2,3-dihydroindol-5-yl]methylsulfamoyl]phenyl]butanamide
CID 53092689
4-bromo-N-[[1-(2-methylpropanoyl)-2,3-dihydroindol-5-yl]methyl]benzenesulfonamide
CID 53092662
3,4-dimethyl-N-[(1-propanoyl-2,3-dihydroindol-5-yl)methyl]benzenesulfonamide
CID 53092481
3-methyl-N-[(1-propanoyl-2,3-dihydroindol-5-yl)methyl]butanamide
CID 53093588
N-[(1-acetyl-2,3-dihydroindol-5-yl)methyl]-2-chlorobenzenesulfonamide
CID 53092459
2-chloro-N-[[1-(3-methylbutanoyl)-2,3-dihydroindol-5-yl]methyl]benzamide
CID 53093940
N-[[1-(3-methylbutanoyl)-3,4-dihydro-2H-quinolin-6-yl]methyl]-4-(trifluoromethyl)benzamide
CID 142580229

Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethyl)-5-methyl-N-[[1-(3-methylbutanoyl)-2,3-dihydroindol-5-yl]methyl]pyrazole-4-sulfonamide?
The IUPAC name of 1-(difluoromethyl)-5-methyl-N-[[1-(3-methylbutanoyl)-2,3-dihydroindol-5-yl]methyl]pyrazole-4-sulfonamide (CID 53092652) is 1-(difluoromethyl)-5-methyl-N-[[1-(3-methylbutanoyl)-2,3-dihydroindol-5-yl]methyl]pyrazole-4-sulfonamide.
What is the SMILES notation for 1-(difluoromethyl)-5-methyl-N-[[1-(3-methylbutanoyl)-2,3-dihydroindol-5-yl]methyl]pyrazole-4-sulfonamide?
The canonical SMILES for 1-(difluoromethyl)-5-methyl-N-[[1-(3-methylbutanoyl)-2,3-dihydroindol-5-yl]methyl]pyrazole-4-sulfonamide is Cc1c(S(=O)(=O)NCc2ccc3c(c2)CCN3C(=O)CC(C)C)cnn1C(F)F.
What is the InChIKey of 1-(difluoromethyl)-5-methyl-N-[[1-(3-methylbutanoyl)-2,3-dihydroindol-5-yl]methyl]pyrazole-4-sulfonamide?
The InChIKey is BWWRFJMEMPMXPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24F2N4O3S/c1-12(2)8-18(26)24-7-6-15-9-14(4-5-16(15)24)10-23-29(27,28)17-11-22-25(13(17)3)19(20)21/h4-5,9,11-12,19,23H,6-8,10H2,1-3H3.
What are the key properties of 1-(difluoromethyl)-5-methyl-N-[[1-(3-methylbutanoyl)-2,3-dihydroindol-5-yl]methyl]pyrazole-4-sulfonamide?
1-(difluoromethyl)-5-methyl-N-[[1-(3-methylbutanoyl)-2,3-dihydroindol-5-yl]methyl]pyrazole-4-sulfonamide has a molecular weight of 426.49 g/mol, XLogP of 3.00, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethyl)-5-methyl-N-[[1-(3-methylbutanoyl)-2,3-dihydroindol-5-yl]methyl]pyrazole-4-sulfonamide is sourced from PubChem (CID 53092652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).