3-chloro-4-fluoro-N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]benzenesulfonamide

C17H16ClFN2O3S — CID 71788692

IUPAC3-chloro-4-fluoro-N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]benzenesulfonamide
SMILESCn1cc(C(O)CNS(=O)(=O)c2ccc(F)c(Cl)c2)c2ccccc21
InChIInChI=1S/C17H16ClFN2O3S/c1-21-10-13(12-4-2-3-5-16(12)21)17(22)9-20-25(23,24)11-6-7-15(19)14(18)8-11/h2-8,10,17,20,22H,9H2,1H3
InChIKeyAUJONCJCJFAOPQ-UHFFFAOYSA-N
MW382.84 g/mol
LogP2.98
Rot. Bonds5

About 3-chloro-4-fluoro-N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]benzenesulfonamide

3-chloro-4-fluoro-N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]benzenesulfonamide (PubChem CID 71788692) has the molecular formula C17H16ClFN2O3S and a molecular weight of 382.84 g/mol. Its IUPAC name is 3-chloro-4-fluoro-N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name3-chloro-4-fluoro-N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]benzenesulfonamide
PubChem CID71788692
Molecular FormulaC17H16ClFN2O3S
Molecular Weight382.84 g/mol
Exact Mass382.06
IUPAC Name3-chloro-4-fluoro-N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]benzenesulfonamide
SMILESCn1cc(C(O)CNS(=O)(=O)c2ccc(F)c(Cl)c2)c2ccccc21
InChIInChI=1S/C17H16ClFN2O3S/c1-21-10-13(12-4-2-3-5-16(12)21)17(22)9-20-25(23,24)11-6-7-15(19)14(18)8-11/h2-8,10,17,20,22H,9H2,1H3
InChIKeyAUJONCJCJFAOPQ-UHFFFAOYSA-N
XLogP2.98
TPSA71.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.84
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-fluoro-N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]benzenesulfonamide?
The IUPAC name of 3-chloro-4-fluoro-N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]benzenesulfonamide (CID 71788692) is 3-chloro-4-fluoro-N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for 3-chloro-4-fluoro-N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]benzenesulfonamide?
The canonical SMILES for 3-chloro-4-fluoro-N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]benzenesulfonamide is Cn1cc(C(O)CNS(=O)(=O)c2ccc(F)c(Cl)c2)c2ccccc21.
What is the InChIKey of 3-chloro-4-fluoro-N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]benzenesulfonamide?
The InChIKey is AUJONCJCJFAOPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClFN2O3S/c1-21-10-13(12-4-2-3-5-16(12)21)17(22)9-20-25(23,24)11-6-7-15(19)14(18)8-11/h2-8,10,17,20,22H,9H2,1H3.
What are the key properties of 3-chloro-4-fluoro-N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]benzenesulfonamide?
3-chloro-4-fluoro-N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]benzenesulfonamide has a molecular weight of 382.84 g/mol, XLogP of 2.98, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-fluoro-N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 71788692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).