6-chloro-N-(3,6-difluoro-5-prop-1-en-2-yl-2-pyridinyl)-1H-indole-3-sulfonamide

C16H12ClF2N3O2S — CID 135187134

IUPAC6-chloro-N-(3,6-difluoro-5-prop-1-en-2-yl-2-pyridinyl)-1H-indole-3-sulfonamide
SMILESC=C(C)c1cc(F)c(NS(=O)(=O)c2c[nH]c3cc(Cl)ccc23)nc1F
InChIInChI=1S/C16H12ClF2N3O2S/c1-8(2)11-6-12(18)16(21-15(11)19)22-25(23,24)14-7-20-13-5-9(17)3-4-10(13)14/h3-7,20H,1H2,2H3,(H,21,22)
InChIKeyXUSCBYYFMTVOTL-UHFFFAOYSA-N
MW383.81 g/mol
LogP4.33
Rot. Bonds4

About 6-chloro-N-(3,6-difluoro-5-prop-1-en-2-yl-2-pyridinyl)-1H-indole-3-sulfonamide

6-chloro-N-(3,6-difluoro-5-prop-1-en-2-yl-2-pyridinyl)-1H-indole-3-sulfonamide (PubChem CID 135187134) has the molecular formula C16H12ClF2N3O2S and a molecular weight of 383.81 g/mol. Its IUPAC name is 6-chloro-N-(3,6-difluoro-5-prop-1-en-2-yl-2-pyridinyl)-1H-indole-3-sulfonamide.

Molecular Properties

Compound Name6-chloro-N-(3,6-difluoro-5-prop-1-en-2-yl-2-pyridinyl)-1H-indole-3-sulfonamide
PubChem CID135187134
Molecular FormulaC16H12ClF2N3O2S
Molecular Weight383.81 g/mol
Exact Mass383.03
IUPAC Name6-chloro-N-(3,6-difluoro-5-prop-1-en-2-yl-2-pyridinyl)-1H-indole-3-sulfonamide
SMILESC=C(C)c1cc(F)c(NS(=O)(=O)c2c[nH]c3cc(Cl)ccc23)nc1F
InChIInChI=1S/C16H12ClF2N3O2S/c1-8(2)11-6-12(18)16(21-15(11)19)22-25(23,24)14-7-20-13-5-9(17)3-4-10(13)14/h3-7,20H,1H2,2H3,(H,21,22)
InChIKeyXUSCBYYFMTVOTL-UHFFFAOYSA-N
XLogP4.33
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.81
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(3,6-difluoro-5-prop-1-en-2-yl-2-pyridinyl)-1H-indole-3-sulfonamide?
The IUPAC name of 6-chloro-N-(3,6-difluoro-5-prop-1-en-2-yl-2-pyridinyl)-1H-indole-3-sulfonamide (CID 135187134) is 6-chloro-N-(3,6-difluoro-5-prop-1-en-2-yl-2-pyridinyl)-1H-indole-3-sulfonamide.
What is the SMILES notation for 6-chloro-N-(3,6-difluoro-5-prop-1-en-2-yl-2-pyridinyl)-1H-indole-3-sulfonamide?
The canonical SMILES for 6-chloro-N-(3,6-difluoro-5-prop-1-en-2-yl-2-pyridinyl)-1H-indole-3-sulfonamide is C=C(C)c1cc(F)c(NS(=O)(=O)c2c[nH]c3cc(Cl)ccc23)nc1F.
What is the InChIKey of 6-chloro-N-(3,6-difluoro-5-prop-1-en-2-yl-2-pyridinyl)-1H-indole-3-sulfonamide?
The InChIKey is XUSCBYYFMTVOTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClF2N3O2S/c1-8(2)11-6-12(18)16(21-15(11)19)22-25(23,24)14-7-20-13-5-9(17)3-4-10(13)14/h3-7,20H,1H2,2H3,(H,21,22).
What are the key properties of 6-chloro-N-(3,6-difluoro-5-prop-1-en-2-yl-2-pyridinyl)-1H-indole-3-sulfonamide?
6-chloro-N-(3,6-difluoro-5-prop-1-en-2-yl-2-pyridinyl)-1H-indole-3-sulfonamide has a molecular weight of 383.81 g/mol, XLogP of 4.33, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(3,6-difluoro-5-prop-1-en-2-yl-2-pyridinyl)-1H-indole-3-sulfonamide is sourced from PubChem (CID 135187134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).