2-chloro-5-[3-(4-fluorophenyl)-1H-indole-6-carbonyl]benzenesulfonamide

C21H14ClFN2O3S — CID 66851159

IUPAC2-chloro-5-[3-(4-fluorophenyl)-1H-indole-6-carbonyl]benzenesulfonamide
SMILESNS(=O)(=O)c1cc(C(=O)c2ccc3c(-c4ccc(F)cc4)c[nH]c3c2)ccc1Cl
InChIInChI=1S/C21H14ClFN2O3S/c22-18-8-4-14(10-20(18)29(24,27)28)21(26)13-3-7-16-17(11-25-19(16)9-13)12-1-5-15(23)6-2-12/h1-11,25H,(H2,24,27,28)
InChIKeySKKQQONGUHJMDZ-UHFFFAOYSA-N
MW428.87 g/mol
LogP4.51
Rot. Bonds4

About 2-chloro-5-[3-(4-fluorophenyl)-1H-indole-6-carbonyl]benzenesulfonamide

2-chloro-5-[3-(4-fluorophenyl)-1H-indole-6-carbonyl]benzenesulfonamide (PubChem CID 66851159) has the molecular formula C21H14ClFN2O3S and a molecular weight of 428.87 g/mol. Its IUPAC name is 2-chloro-5-[3-(4-fluorophenyl)-1H-indole-6-carbonyl]benzenesulfonamide.

Molecular Properties

Compound Name2-chloro-5-[3-(4-fluorophenyl)-1H-indole-6-carbonyl]benzenesulfonamide
PubChem CID66851159
Molecular FormulaC21H14ClFN2O3S
Molecular Weight428.87 g/mol
Exact Mass428.04
IUPAC Name2-chloro-5-[3-(4-fluorophenyl)-1H-indole-6-carbonyl]benzenesulfonamide
SMILESNS(=O)(=O)c1cc(C(=O)c2ccc3c(-c4ccc(F)cc4)c[nH]c3c2)ccc1Cl
InChIInChI=1S/C21H14ClFN2O3S/c22-18-8-4-14(10-20(18)29(24,27)28)21(26)13-3-7-16-17(11-25-19(16)9-13)12-1-5-15(23)6-2-12/h1-11,25H,(H2,24,27,28)
InChIKeySKKQQONGUHJMDZ-UHFFFAOYSA-N
XLogP4.51
TPSA93.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.87
LogP ≤ 54.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[3-(4-fluorophenyl)-1H-indole-6-carbonyl]benzenesulfonamide?
The IUPAC name of 2-chloro-5-[3-(4-fluorophenyl)-1H-indole-6-carbonyl]benzenesulfonamide (CID 66851159) is 2-chloro-5-[3-(4-fluorophenyl)-1H-indole-6-carbonyl]benzenesulfonamide.
What is the SMILES notation for 2-chloro-5-[3-(4-fluorophenyl)-1H-indole-6-carbonyl]benzenesulfonamide?
The canonical SMILES for 2-chloro-5-[3-(4-fluorophenyl)-1H-indole-6-carbonyl]benzenesulfonamide is NS(=O)(=O)c1cc(C(=O)c2ccc3c(-c4ccc(F)cc4)c[nH]c3c2)ccc1Cl.
What is the InChIKey of 2-chloro-5-[3-(4-fluorophenyl)-1H-indole-6-carbonyl]benzenesulfonamide?
The InChIKey is SKKQQONGUHJMDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14ClFN2O3S/c22-18-8-4-14(10-20(18)29(24,27)28)21(26)13-3-7-16-17(11-25-19(16)9-13)12-1-5-15(23)6-2-12/h1-11,25H,(H2,24,27,28).
What are the key properties of 2-chloro-5-[3-(4-fluorophenyl)-1H-indole-6-carbonyl]benzenesulfonamide?
2-chloro-5-[3-(4-fluorophenyl)-1H-indole-6-carbonyl]benzenesulfonamide has a molecular weight of 428.87 g/mol, XLogP of 4.51, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[3-(4-fluorophenyl)-1H-indole-6-carbonyl]benzenesulfonamide is sourced from PubChem (CID 66851159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).