N-(2-chloro-4-fluorophenyl)-2,3-dihydro-1H-indole-5-sulfonamide

C14H12ClFN2O2S — CID 29080528

IUPACN-(2-chloro-4-fluorophenyl)-2,3-dihydro-1H-indole-5-sulfonamide
SMILESO=S(=O)(Nc1ccc(F)cc1Cl)c1ccc2c(c1)CCN2
InChIInChI=1S/C14H12ClFN2O2S/c15-12-8-10(16)1-3-14(12)18-21(19,20)11-2-4-13-9(7-11)5-6-17-13/h1-4,7-8,17-18H,5-6H2
InChIKeyPFBLSDFPKXABOE-UHFFFAOYSA-N
MW326.78 g/mol
LogP3.25
Rot. Bonds3

About N-(2-chloro-4-fluorophenyl)-2,3-dihydro-1H-indole-5-sulfonamide

N-(2-chloro-4-fluorophenyl)-2,3-dihydro-1H-indole-5-sulfonamide (PubChem CID 29080528) has the molecular formula C14H12ClFN2O2S and a molecular weight of 326.78 g/mol. Its IUPAC name is N-(2-chloro-4-fluorophenyl)-2,3-dihydro-1H-indole-5-sulfonamide.

Molecular Properties

Compound NameN-(2-chloro-4-fluorophenyl)-2,3-dihydro-1H-indole-5-sulfonamide
PubChem CID29080528
Molecular FormulaC14H12ClFN2O2S
Molecular Weight326.78 g/mol
Exact Mass326.03
IUPAC NameN-(2-chloro-4-fluorophenyl)-2,3-dihydro-1H-indole-5-sulfonamide
SMILESO=S(=O)(Nc1ccc(F)cc1Cl)c1ccc2c(c1)CCN2
InChIInChI=1S/C14H12ClFN2O2S/c15-12-8-10(16)1-3-14(12)18-21(19,20)11-2-4-13-9(7-11)5-6-17-13/h1-4,7-8,17-18H,5-6H2
InChIKeyPFBLSDFPKXABOE-UHFFFAOYSA-N
XLogP3.25
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.78
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-chloro-4-iodophenyl)-2,3-dihydro-1H-indole-5-sulfonamide
CID 107605731
N-(2-bromo-5-fluorophenyl)-2,3-dihydro-1H-indole-5-sulfonamide
CID 107626863
3,4-dichloro-N-(2-chloro-4-fluorophenyl)benzenesulfonamide
CID 26969900
N-(2-bromo-5-chlorophenyl)-2,3-dihydro-1H-indole-5-sulfonamide
CID 81281250
N-(4-iodophenyl)-2,3-dihydro-1H-indole-5-sulfonamide
CID 28976761
N-(2-chloro-4-fluorophenyl)-3-cyano-4-fluorobenzenesulfonamide
CID 63235952
4-fluoro-N-(6-methyl-1,2,3,4-tetrahydroquinolin-7-yl)benzenesulfonamide
CID 69083028
N-pyrazin-2-yl-2,3-dihydro-1H-indole-5-sulfonamide
CID 43616214
N-(2-chloro-4-fluorophenyl)-1-oxo-2,3,4,5-tetrahydropyrrolo[1,2-a][1,4]diazepine-8-sulfonamide
CID 53182802
N-(2,2-dimethylcyclopentyl)-2,3-dihydro-1H-indole-5-sulfonamide
CID 79878268
3,4-dichloro-N-(4-fluoro-2-hydroxyphenyl)benzenesulfonamide
CID 63677626
N-(2-chloro-4-fluorophenyl)-4-propylbenzenesulfonamide
CID 8500802

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-fluorophenyl)-2,3-dihydro-1H-indole-5-sulfonamide?
The IUPAC name of N-(2-chloro-4-fluorophenyl)-2,3-dihydro-1H-indole-5-sulfonamide (CID 29080528) is N-(2-chloro-4-fluorophenyl)-2,3-dihydro-1H-indole-5-sulfonamide.
What is the SMILES notation for N-(2-chloro-4-fluorophenyl)-2,3-dihydro-1H-indole-5-sulfonamide?
The canonical SMILES for N-(2-chloro-4-fluorophenyl)-2,3-dihydro-1H-indole-5-sulfonamide is O=S(=O)(Nc1ccc(F)cc1Cl)c1ccc2c(c1)CCN2.
What is the InChIKey of N-(2-chloro-4-fluorophenyl)-2,3-dihydro-1H-indole-5-sulfonamide?
The InChIKey is PFBLSDFPKXABOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClFN2O2S/c15-12-8-10(16)1-3-14(12)18-21(19,20)11-2-4-13-9(7-11)5-6-17-13/h1-4,7-8,17-18H,5-6H2.
What are the key properties of N-(2-chloro-4-fluorophenyl)-2,3-dihydro-1H-indole-5-sulfonamide?
N-(2-chloro-4-fluorophenyl)-2,3-dihydro-1H-indole-5-sulfonamide has a molecular weight of 326.78 g/mol, XLogP of 3.25, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-fluorophenyl)-2,3-dihydro-1H-indole-5-sulfonamide is sourced from PubChem (CID 29080528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).