3-(4-fluorobenzoyl)-N-(1-methylcyclopropyl)-1H-indole-6-sulfonamide

C19H17FN2O3S — CID 121415969

IUPAC3-(4-fluorobenzoyl)-N-(1-methylcyclopropyl)-1H-indole-6-sulfonamide
SMILESCC1(NS(=O)(=O)c2ccc3c(C(=O)c4ccc(F)cc4)c[nH]c3c2)CC1
InChIInChI=1S/C19H17FN2O3S/c1-19(8-9-19)22-26(24,25)14-6-7-15-16(11-21-17(15)10-14)18(23)12-2-4-13(20)5-3-12/h2-7,10-11,21-22H,8-9H2,1H3
InChIKeyRAPJRICLBGLPBZ-UHFFFAOYSA-N
MW372.42 g/mol
LogP3.37
Rot. Bonds5

About 3-(4-fluorobenzoyl)-N-(1-methylcyclopropyl)-1H-indole-6-sulfonamide

3-(4-fluorobenzoyl)-N-(1-methylcyclopropyl)-1H-indole-6-sulfonamide (PubChem CID 121415969) has the molecular formula C19H17FN2O3S and a molecular weight of 372.42 g/mol. Its IUPAC name is 3-(4-fluorobenzoyl)-N-(1-methylcyclopropyl)-1H-indole-6-sulfonamide.

Molecular Properties

Compound Name3-(4-fluorobenzoyl)-N-(1-methylcyclopropyl)-1H-indole-6-sulfonamide
PubChem CID121415969
Molecular FormulaC19H17FN2O3S
Molecular Weight372.42 g/mol
Exact Mass372.09
IUPAC Name3-(4-fluorobenzoyl)-N-(1-methylcyclopropyl)-1H-indole-6-sulfonamide
SMILESCC1(NS(=O)(=O)c2ccc3c(C(=O)c4ccc(F)cc4)c[nH]c3c2)CC1
InChIInChI=1S/C19H17FN2O3S/c1-19(8-9-19)22-26(24,25)14-6-7-15-16(11-21-17(15)10-14)18(23)12-2-4-13(20)5-3-12/h2-7,10-11,21-22H,8-9H2,1H3
InChIKeyRAPJRICLBGLPBZ-UHFFFAOYSA-N
XLogP3.37
TPSA79.03 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.42
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-fluorobenzoyl)-N-(1-methylcyclopropyl)-1-(5-methyl-1,3,4-thiadiazol-2-yl)indole-6-sulfonamide
CID 121415885
4-fluoro-N-(1-methylcyclopentyl)benzenesulfonamide
CID 47377345
(6-fluoro-1H-indol-3-yl)-(3,4,5-trifluorophenyl)methanone
CID 63187418
(6-fluoro-1H-indol-3-yl)-(4-fluoro-3-methylphenyl)methanone
CID 63209854
(6-fluoro-1H-indol-3-yl)-(3-methylphenyl)methanone
CID 43342087
2-bromo-N-methyl-5-[(1-methylcyclopropyl)sulfamoyl]benzamide
CID 121398580
(6-fluoro-1H-indol-3-yl)-(3-fluoro-4-methoxyphenyl)methanone
CID 62919876
(6-chloro-1H-indol-3-yl)-(4-chlorophenyl)methanone
CID 43163471
(2,4-dimethylphenyl)-(6-fluoro-1H-indol-3-yl)methanone
CID 43163503
(3-chloro-5-methylphenyl)-(6-fluoro-1H-indol-3-yl)methanone
CID 81323304
methyl 4-[(3-methylpyrrolidin-3-yl)sulfamoyl]benzoate
CID 107423157
1-(6-fluoro-1H-indol-3-yl)-2-[4-(hydroxymethyl)-4-methylpiperidin-1-yl]ethane-1,2-dione
CID 166251068

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorobenzoyl)-N-(1-methylcyclopropyl)-1H-indole-6-sulfonamide?
The IUPAC name of 3-(4-fluorobenzoyl)-N-(1-methylcyclopropyl)-1H-indole-6-sulfonamide (CID 121415969) is 3-(4-fluorobenzoyl)-N-(1-methylcyclopropyl)-1H-indole-6-sulfonamide.
What is the SMILES notation for 3-(4-fluorobenzoyl)-N-(1-methylcyclopropyl)-1H-indole-6-sulfonamide?
The canonical SMILES for 3-(4-fluorobenzoyl)-N-(1-methylcyclopropyl)-1H-indole-6-sulfonamide is CC1(NS(=O)(=O)c2ccc3c(C(=O)c4ccc(F)cc4)c[nH]c3c2)CC1.
What is the InChIKey of 3-(4-fluorobenzoyl)-N-(1-methylcyclopropyl)-1H-indole-6-sulfonamide?
The InChIKey is RAPJRICLBGLPBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN2O3S/c1-19(8-9-19)22-26(24,25)14-6-7-15-16(11-21-17(15)10-14)18(23)12-2-4-13(20)5-3-12/h2-7,10-11,21-22H,8-9H2,1H3.
What are the key properties of 3-(4-fluorobenzoyl)-N-(1-methylcyclopropyl)-1H-indole-6-sulfonamide?
3-(4-fluorobenzoyl)-N-(1-methylcyclopropyl)-1H-indole-6-sulfonamide has a molecular weight of 372.42 g/mol, XLogP of 3.37, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorobenzoyl)-N-(1-methylcyclopropyl)-1H-indole-6-sulfonamide is sourced from PubChem (CID 121415969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).