3-(2,3-dihydroindole-1-carbonyl)-4-fluoro-N-methyl-N-propan-2-ylbenzenesulfonamide

C19H21FN2O3S — CID 31886530

IUPAC3-(2,3-dihydroindole-1-carbonyl)-4-fluoro-N-methyl-N-propan-2-ylbenzenesulfonamide
SMILESCC(C)N(C)S(=O)(=O)c1ccc(F)c(C(=O)N2CCc3ccccc32)c1
InChIInChI=1S/C19H21FN2O3S/c1-13(2)21(3)26(24,25)15-8-9-17(20)16(12-15)19(23)22-11-10-14-6-4-5-7-18(14)22/h4-9,12-13H,10-11H2,1-3H3
InChIKeyNNCPCSVQNYHDDX-UHFFFAOYSA-N
MW376.45 g/mol
LogP3.06
Rot. Bonds4

About 3-(2,3-dihydroindole-1-carbonyl)-4-fluoro-N-methyl-N-propan-2-ylbenzenesulfonamide

3-(2,3-dihydroindole-1-carbonyl)-4-fluoro-N-methyl-N-propan-2-ylbenzenesulfonamide (PubChem CID 31886530) has the molecular formula C19H21FN2O3S and a molecular weight of 376.45 g/mol. Its IUPAC name is 3-(2,3-dihydroindole-1-carbonyl)-4-fluoro-N-methyl-N-propan-2-ylbenzenesulfonamide.

Molecular Properties

Compound Name3-(2,3-dihydroindole-1-carbonyl)-4-fluoro-N-methyl-N-propan-2-ylbenzenesulfonamide
PubChem CID31886530
Molecular FormulaC19H21FN2O3S
Molecular Weight376.45 g/mol
Exact Mass376.13
IUPAC Name3-(2,3-dihydroindole-1-carbonyl)-4-fluoro-N-methyl-N-propan-2-ylbenzenesulfonamide
SMILESCC(C)N(C)S(=O)(=O)c1ccc(F)c(C(=O)N2CCc3ccccc32)c1
InChIInChI=1S/C19H21FN2O3S/c1-13(2)21(3)26(24,25)15-8-9-17(20)16(12-15)19(23)22-11-10-14-6-4-5-7-18(14)22/h4-9,12-13H,10-11H2,1-3H3
InChIKeyNNCPCSVQNYHDDX-UHFFFAOYSA-N
XLogP3.06
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.45
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,3-dihydroindol-1-yl-(2-fluoro-5-morpholin-4-ylsulfonylphenyl)methanone
CID 2531136
3,4-dihydro-2H-quinolin-1-yl-(2-fluoro-5-morpholin-4-ylsulfonylphenyl)methanone
CID 2352857
1-(4-chloro-2-fluorobenzoyl)-N,N-diethyl-2,3-dihydroindole-5-sulfonamide
CID 26765921
(2-fluoro-5-sulfanylphenyl)-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)methanone
CID 107031389
3-(2,3-dihydroindole-1-carbonyl)-1-ethyl-N,N-dimethyl-4-oxoquinoline-6-sulfonamide
CID 126457207
N-[2-(2,3-dihydroindole-1-carbonyl)phenyl]-4-fluorobenzenesulfonamide
CID 2335196
(2-fluorophenyl)-(5-pyrrolidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)methanone
CID 17421426
N,N-diethyl-1-(2-propan-2-ylsulfonylbenzoyl)-2,3-dihydroindole-5-sulfonamide
CID 55667997
(2-amino-3-fluorophenyl)-(2,3-dihydroindol-1-yl)methanone
CID 55099809
N,N-dimethyl-1-(2-oxo-1H-quinoline-4-carbonyl)-2,3-dihydroindole-5-sulfonamide
CID 26769678
1-(5-bromo-2-fluorobenzoyl)-N,N-diethyl-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 55435230
1-acetyl-N-(1-hydroxypropan-2-yl)-N-methyl-2,3-dihydroindole-5-sulfonamide
CID 115776398

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydroindole-1-carbonyl)-4-fluoro-N-methyl-N-propan-2-ylbenzenesulfonamide?
The IUPAC name of 3-(2,3-dihydroindole-1-carbonyl)-4-fluoro-N-methyl-N-propan-2-ylbenzenesulfonamide (CID 31886530) is 3-(2,3-dihydroindole-1-carbonyl)-4-fluoro-N-methyl-N-propan-2-ylbenzenesulfonamide.
What is the SMILES notation for 3-(2,3-dihydroindole-1-carbonyl)-4-fluoro-N-methyl-N-propan-2-ylbenzenesulfonamide?
The canonical SMILES for 3-(2,3-dihydroindole-1-carbonyl)-4-fluoro-N-methyl-N-propan-2-ylbenzenesulfonamide is CC(C)N(C)S(=O)(=O)c1ccc(F)c(C(=O)N2CCc3ccccc32)c1.
What is the InChIKey of 3-(2,3-dihydroindole-1-carbonyl)-4-fluoro-N-methyl-N-propan-2-ylbenzenesulfonamide?
The InChIKey is NNCPCSVQNYHDDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2O3S/c1-13(2)21(3)26(24,25)15-8-9-17(20)16(12-15)19(23)22-11-10-14-6-4-5-7-18(14)22/h4-9,12-13H,10-11H2,1-3H3.
What are the key properties of 3-(2,3-dihydroindole-1-carbonyl)-4-fluoro-N-methyl-N-propan-2-ylbenzenesulfonamide?
3-(2,3-dihydroindole-1-carbonyl)-4-fluoro-N-methyl-N-propan-2-ylbenzenesulfonamide has a molecular weight of 376.45 g/mol, XLogP of 3.06, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydroindole-1-carbonyl)-4-fluoro-N-methyl-N-propan-2-ylbenzenesulfonamide is sourced from PubChem (CID 31886530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).