6-chloro-N-(2,2-difluoro-2-pyridin-2-ylethyl)-1H-indole-3-sulfonamide

C15H12ClF2N3O2S — CID 167859798

IUPAC6-chloro-N-(2,2-difluoro-2-pyridin-2-ylethyl)-1H-indole-3-sulfonamide
SMILESO=S(=O)(NCC(F)(F)c1ccccn1)c1c[nH]c2cc(Cl)ccc12
InChIInChI=1S/C15H12ClF2N3O2S/c16-10-4-5-11-12(7-10)20-8-13(11)24(22,23)21-9-15(17,18)14-3-1-2-6-19-14/h1-8,20-21H,9H2
InChIKeyUBYSSEGWCYPPBQ-UHFFFAOYSA-N
MW371.80 g/mol
LogP3.29
Rot. Bonds5

About 6-chloro-N-(2,2-difluoro-2-pyridin-2-ylethyl)-1H-indole-3-sulfonamide

6-chloro-N-(2,2-difluoro-2-pyridin-2-ylethyl)-1H-indole-3-sulfonamide (PubChem CID 167859798) has the molecular formula C15H12ClF2N3O2S and a molecular weight of 371.80 g/mol. Its IUPAC name is 6-chloro-N-(2,2-difluoro-2-pyridin-2-ylethyl)-1H-indole-3-sulfonamide.

Molecular Properties

Compound Name6-chloro-N-(2,2-difluoro-2-pyridin-2-ylethyl)-1H-indole-3-sulfonamide
PubChem CID167859798
Molecular FormulaC15H12ClF2N3O2S
Molecular Weight371.80 g/mol
Exact Mass371.03
IUPAC Name6-chloro-N-(2,2-difluoro-2-pyridin-2-ylethyl)-1H-indole-3-sulfonamide
SMILESO=S(=O)(NCC(F)(F)c1ccccn1)c1c[nH]c2cc(Cl)ccc12
InChIInChI=1S/C15H12ClF2N3O2S/c16-10-4-5-11-12(7-10)20-8-13(11)24(22,23)21-9-15(17,18)14-3-1-2-6-19-14/h1-8,20-21H,9H2
InChIKeyUBYSSEGWCYPPBQ-UHFFFAOYSA-N
XLogP3.29
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.80
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(2,2-difluoro-2-pyridin-2-ylethyl)-1H-indole-3-sulfonamide?
The IUPAC name of 6-chloro-N-(2,2-difluoro-2-pyridin-2-ylethyl)-1H-indole-3-sulfonamide (CID 167859798) is 6-chloro-N-(2,2-difluoro-2-pyridin-2-ylethyl)-1H-indole-3-sulfonamide.
What is the SMILES notation for 6-chloro-N-(2,2-difluoro-2-pyridin-2-ylethyl)-1H-indole-3-sulfonamide?
The canonical SMILES for 6-chloro-N-(2,2-difluoro-2-pyridin-2-ylethyl)-1H-indole-3-sulfonamide is O=S(=O)(NCC(F)(F)c1ccccn1)c1c[nH]c2cc(Cl)ccc12.
What is the InChIKey of 6-chloro-N-(2,2-difluoro-2-pyridin-2-ylethyl)-1H-indole-3-sulfonamide?
The InChIKey is UBYSSEGWCYPPBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClF2N3O2S/c16-10-4-5-11-12(7-10)20-8-13(11)24(22,23)21-9-15(17,18)14-3-1-2-6-19-14/h1-8,20-21H,9H2.
What are the key properties of 6-chloro-N-(2,2-difluoro-2-pyridin-2-ylethyl)-1H-indole-3-sulfonamide?
6-chloro-N-(2,2-difluoro-2-pyridin-2-ylethyl)-1H-indole-3-sulfonamide has a molecular weight of 371.80 g/mol, XLogP of 3.29, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(2,2-difluoro-2-pyridin-2-ylethyl)-1H-indole-3-sulfonamide is sourced from PubChem (CID 167859798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).