N-[2-(5-chloro-1H-indol-3-yl)-2-methylpropyl]-4-fluorobenzenesulfonamide

C18H18ClFN2O2S — CID 113084321

IUPACN-[2-(5-chloro-1H-indol-3-yl)-2-methylpropyl]-4-fluorobenzenesulfonamide
SMILESCC(C)(CNS(=O)(=O)c1ccc(F)cc1)c1c[nH]c2ccc(Cl)cc12
InChIInChI=1S/C18H18ClFN2O2S/c1-18(2,16-10-21-17-8-3-12(19)9-15(16)17)11-22-25(23,24)14-6-4-13(20)5-7-14/h3-10,21-22H,11H2,1-2H3
InChIKeyNKUZIYINZIRVJV-UHFFFAOYSA-N
MW380.87 g/mol
LogP4.22
Rot. Bonds5

About N-[2-(5-chloro-1H-indol-3-yl)-2-methylpropyl]-4-fluorobenzenesulfonamide

N-[2-(5-chloro-1H-indol-3-yl)-2-methylpropyl]-4-fluorobenzenesulfonamide (PubChem CID 113084321) has the molecular formula C18H18ClFN2O2S and a molecular weight of 380.87 g/mol. Its IUPAC name is N-[2-(5-chloro-1H-indol-3-yl)-2-methylpropyl]-4-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-[2-(5-chloro-1H-indol-3-yl)-2-methylpropyl]-4-fluorobenzenesulfonamide
PubChem CID113084321
Molecular FormulaC18H18ClFN2O2S
Molecular Weight380.87 g/mol
Exact Mass380.08
IUPAC NameN-[2-(5-chloro-1H-indol-3-yl)-2-methylpropyl]-4-fluorobenzenesulfonamide
SMILESCC(C)(CNS(=O)(=O)c1ccc(F)cc1)c1c[nH]c2ccc(Cl)cc12
InChIInChI=1S/C18H18ClFN2O2S/c1-18(2,16-10-21-17-8-3-12(19)9-15(16)17)11-22-25(23,24)14-6-4-13(20)5-7-14/h3-10,21-22H,11H2,1-2H3
InChIKeyNKUZIYINZIRVJV-UHFFFAOYSA-N
XLogP4.22
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.87
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-fluoro-N-[2-(6-fluoro-1H-indol-3-yl)-2-methylpropyl]-3-methylbenzenesulfonamide
CID 113084506
N-[2-(5-chloro-1H-indol-3-yl)ethyl]-4-fluorobenzenesulfonamide
CID 3161292
N-[2-(6-fluoro-1H-indol-3-yl)-2-methylpropyl]-1,3-benzodioxole-5-sulfonamide
CID 113084511
4-fluoro-N-[2-(6-fluoro-1H-indol-3-yl)-2-methylpropyl]-2-methylbenzenesulfonamide
CID 113084507
N-[2-(6-fluoro-1H-indol-3-yl)-2-methylpropyl]methanesulfonamide
CID 113084491
tert-butyl N-[2-(5-chloro-1H-indol-3-yl)-2-methylpropyl]carbamate
CID 113084309
3-chloro-N-[2-(5-fluoro-1H-indol-3-yl)-2-methylpropyl]benzamide
CID 113084202
N-[2-(6-fluoro-1H-indol-3-yl)-2-methylpropyl]propane-1-sulfonamide
CID 113084493
3-[1-(dimethylsulfamoylamino)-2-methylpropan-2-yl]-6-fluoro-1H-indole
CID 113084495
N-[2-(6-chloro-1H-indol-3-yl)-2-methylpropyl]butane-1-sulfonamide
CID 113084580
2-[4-[[2-(2-chloro-4-fluorophenyl)-2-methylpropyl]sulfamoyl]phenyl]acetic acid
CID 146092760
N-(2-amino-2-methylpropyl)-4-fluorobenzenesulfonamide;hydrochloride
CID 119988167

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-chloro-1H-indol-3-yl)-2-methylpropyl]-4-fluorobenzenesulfonamide?
The IUPAC name of N-[2-(5-chloro-1H-indol-3-yl)-2-methylpropyl]-4-fluorobenzenesulfonamide (CID 113084321) is N-[2-(5-chloro-1H-indol-3-yl)-2-methylpropyl]-4-fluorobenzenesulfonamide.
What is the SMILES notation for N-[2-(5-chloro-1H-indol-3-yl)-2-methylpropyl]-4-fluorobenzenesulfonamide?
The canonical SMILES for N-[2-(5-chloro-1H-indol-3-yl)-2-methylpropyl]-4-fluorobenzenesulfonamide is CC(C)(CNS(=O)(=O)c1ccc(F)cc1)c1c[nH]c2ccc(Cl)cc12.
What is the InChIKey of N-[2-(5-chloro-1H-indol-3-yl)-2-methylpropyl]-4-fluorobenzenesulfonamide?
The InChIKey is NKUZIYINZIRVJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClFN2O2S/c1-18(2,16-10-21-17-8-3-12(19)9-15(16)17)11-22-25(23,24)14-6-4-13(20)5-7-14/h3-10,21-22H,11H2,1-2H3.
What are the key properties of N-[2-(5-chloro-1H-indol-3-yl)-2-methylpropyl]-4-fluorobenzenesulfonamide?
N-[2-(5-chloro-1H-indol-3-yl)-2-methylpropyl]-4-fluorobenzenesulfonamide has a molecular weight of 380.87 g/mol, XLogP of 4.22, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-chloro-1H-indol-3-yl)-2-methylpropyl]-4-fluorobenzenesulfonamide is sourced from PubChem (CID 113084321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).