1-[1-(3-fluorophenyl)pyrazole-3-carbonyl]-N-methyl-2,3-dihydroindole-5-sulfonamide

C19H17FN4O3S — CID 52832455

IUPAC1-[1-(3-fluorophenyl)pyrazole-3-carbonyl]-N-methyl-2,3-dihydroindole-5-sulfonamide
SMILESCNS(=O)(=O)c1ccc2c(c1)CCN2C(=O)c1ccn(-c2cccc(F)c2)n1
InChIInChI=1S/C19H17FN4O3S/c1-21-28(26,27)16-5-6-18-13(11-16)7-9-23(18)19(25)17-8-10-24(22-17)15-4-2-3-14(20)12-15/h2-6,8,10-12,21H,7,9H2,1H3
InChIKeyLQWMQKAKNIEJMP-UHFFFAOYSA-N
MW400.44 g/mol
LogP2.12
Rot. Bonds4

About 1-[1-(3-fluorophenyl)pyrazole-3-carbonyl]-N-methyl-2,3-dihydroindole-5-sulfonamide

1-[1-(3-fluorophenyl)pyrazole-3-carbonyl]-N-methyl-2,3-dihydroindole-5-sulfonamide (PubChem CID 52832455) has the molecular formula C19H17FN4O3S and a molecular weight of 400.44 g/mol. Its IUPAC name is 1-[1-(3-fluorophenyl)pyrazole-3-carbonyl]-N-methyl-2,3-dihydroindole-5-sulfonamide.

Molecular Properties

Compound Name1-[1-(3-fluorophenyl)pyrazole-3-carbonyl]-N-methyl-2,3-dihydroindole-5-sulfonamide
PubChem CID52832455
Molecular FormulaC19H17FN4O3S
Molecular Weight400.44 g/mol
Exact Mass400.10
IUPAC Name1-[1-(3-fluorophenyl)pyrazole-3-carbonyl]-N-methyl-2,3-dihydroindole-5-sulfonamide
SMILESCNS(=O)(=O)c1ccc2c(c1)CCN2C(=O)c1ccn(-c2cccc(F)c2)n1
InChIInChI=1S/C19H17FN4O3S/c1-21-28(26,27)16-5-6-18-13(11-16)7-9-23(18)19(25)17-8-10-24(22-17)15-4-2-3-14(20)12-15/h2-6,8,10-12,21H,7,9H2,1H3
InChIKeyLQWMQKAKNIEJMP-UHFFFAOYSA-N
XLogP2.12
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.44
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

CID 44469942
CID 44469942
CID 44470374
CID 44470374
CID 58138789
CID 58138789
CID 58138841
CID 58138841
CID 58138852
CID 58138852
CID 58138880
CID 58138880
CID 58138893
CID 58138893
CID 130431497
CID 130431497
CID 130431517
CID 130431517
CID 135403019
CID 135403019
CID 135403020
CID 135403020
CID 135403021
CID 135403021

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3-fluorophenyl)pyrazole-3-carbonyl]-N-methyl-2,3-dihydroindole-5-sulfonamide?
The IUPAC name of 1-[1-(3-fluorophenyl)pyrazole-3-carbonyl]-N-methyl-2,3-dihydroindole-5-sulfonamide (CID 52832455) is 1-[1-(3-fluorophenyl)pyrazole-3-carbonyl]-N-methyl-2,3-dihydroindole-5-sulfonamide.
What is the SMILES notation for 1-[1-(3-fluorophenyl)pyrazole-3-carbonyl]-N-methyl-2,3-dihydroindole-5-sulfonamide?
The canonical SMILES for 1-[1-(3-fluorophenyl)pyrazole-3-carbonyl]-N-methyl-2,3-dihydroindole-5-sulfonamide is CNS(=O)(=O)c1ccc2c(c1)CCN2C(=O)c1ccn(-c2cccc(F)c2)n1.
What is the InChIKey of 1-[1-(3-fluorophenyl)pyrazole-3-carbonyl]-N-methyl-2,3-dihydroindole-5-sulfonamide?
The InChIKey is LQWMQKAKNIEJMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN4O3S/c1-21-28(26,27)16-5-6-18-13(11-16)7-9-23(18)19(25)17-8-10-24(22-17)15-4-2-3-14(20)12-15/h2-6,8,10-12,21H,7,9H2,1H3.
What are the key properties of 1-[1-(3-fluorophenyl)pyrazole-3-carbonyl]-N-methyl-2,3-dihydroindole-5-sulfonamide?
1-[1-(3-fluorophenyl)pyrazole-3-carbonyl]-N-methyl-2,3-dihydroindole-5-sulfonamide has a molecular weight of 400.44 g/mol, XLogP of 2.12, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3-fluorophenyl)pyrazole-3-carbonyl]-N-methyl-2,3-dihydroindole-5-sulfonamide is sourced from PubChem (CID 52832455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).