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

C15H10ClF2N3O2S — CID 135201227

IUPAC6-chloro-N-(5-ethenyl-3,6-difluoro-2-pyridinyl)-1H-indole-3-sulfonamide
SMILESC=Cc1cc(F)c(NS(=O)(=O)c2c[nH]c3cc(Cl)ccc23)nc1F
InChIInChI=1S/C15H10ClF2N3O2S/c1-2-8-5-11(17)15(20-14(8)18)21-24(22,23)13-7-19-12-6-9(16)3-4-10(12)13/h2-7,19H,1H2,(H,20,21)
InChIKeyVOBLKSYIMKQKNI-UHFFFAOYSA-N
MW369.78 g/mol
LogP3.94
Rot. Bonds4

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

6-chloro-N-(5-ethenyl-3,6-difluoro-2-pyridinyl)-1H-indole-3-sulfonamide (PubChem CID 135201227) has the molecular formula C15H10ClF2N3O2S and a molecular weight of 369.78 g/mol. Its IUPAC name is 6-chloro-N-(5-ethenyl-3,6-difluoro-2-pyridinyl)-1H-indole-3-sulfonamide.

Molecular Properties

Compound Name6-chloro-N-(5-ethenyl-3,6-difluoro-2-pyridinyl)-1H-indole-3-sulfonamide
PubChem CID135201227
Molecular FormulaC15H10ClF2N3O2S
Molecular Weight369.78 g/mol
Exact Mass369.02
IUPAC Name6-chloro-N-(5-ethenyl-3,6-difluoro-2-pyridinyl)-1H-indole-3-sulfonamide
SMILESC=Cc1cc(F)c(NS(=O)(=O)c2c[nH]c3cc(Cl)ccc23)nc1F
InChIInChI=1S/C15H10ClF2N3O2S/c1-2-8-5-11(17)15(20-14(8)18)21-24(22,23)13-7-19-12-6-9(16)3-4-10(12)13/h2-7,19H,1H2,(H,20,21)
InChIKeyVOBLKSYIMKQKNI-UHFFFAOYSA-N
XLogP3.94
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.78
LogP ≤ 53.94
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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Related Compounds

6-chloro-N-[5-chloro-3-fluoro-6-(fluoromethyl)-2-pyridinyl]-1H-indole-3-sulfonamide
CID 135191791
ethyl (E)-3-[6-[(6-chloro-1H-indol-3-yl)sulfonylamino]-2,5-difluoro-3-pyridinyl]prop-2-enoate
CID 135201212
6-chloro-N-(4,5-dimethyl-1H-pyrazol-3-yl)-1H-indole-3-sulfonamide
CID 176710664
N-(4-bromo-2,5-difluorophenyl)-6-chloro-1H-indole-3-sulfonamide
CID 135201048
N-(5-bromo-4,7-difluoro-3-methylidenecyclohepta-1,4,6-trien-1-yl)-6-chloro-1H-indole-3-sulfonamide
CID 135201451
6-chloro-N-[5-(difluoromethoxymethyl)-4-fluoro-6-methoxypyrimidin-2-yl]-1H-indole-3-sulfonamide
CID 170682438
6-chloro-N-(4-methylthiophen-3-yl)-1H-indole-3-sulfonamide
CID 176711099
6-chloro-N-(4-cyano-2,5-difluorophenyl)-1H-indole-3-sulfonamide
CID 135188166
6-bromo-N-[3,6-difluoro-5-(3-methoxypropyl)-2-pyridinyl]-1H-indole-3-sulfonamide
CID 135187147
N-(5-bromopyrazin-2-yl)-6-chloro-1H-indole-3-sulfonamide
CID 150603744
6-chloro-N-[5-(fluoromethoxy)-4,6-dimethoxypyrimidin-2-yl]-1H-indole-3-sulfonamide
CID 164907990
6-chloro-N-(6-methoxy-1,2-benzoxazol-3-yl)-1H-indole-3-sulfonamide
CID 167940139

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(5-ethenyl-3,6-difluoro-2-pyridinyl)-1H-indole-3-sulfonamide?
The IUPAC name of 6-chloro-N-(5-ethenyl-3,6-difluoro-2-pyridinyl)-1H-indole-3-sulfonamide (CID 135201227) is 6-chloro-N-(5-ethenyl-3,6-difluoro-2-pyridinyl)-1H-indole-3-sulfonamide.
What is the SMILES notation for 6-chloro-N-(5-ethenyl-3,6-difluoro-2-pyridinyl)-1H-indole-3-sulfonamide?
The canonical SMILES for 6-chloro-N-(5-ethenyl-3,6-difluoro-2-pyridinyl)-1H-indole-3-sulfonamide is C=Cc1cc(F)c(NS(=O)(=O)c2c[nH]c3cc(Cl)ccc23)nc1F.
What is the InChIKey of 6-chloro-N-(5-ethenyl-3,6-difluoro-2-pyridinyl)-1H-indole-3-sulfonamide?
The InChIKey is VOBLKSYIMKQKNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClF2N3O2S/c1-2-8-5-11(17)15(20-14(8)18)21-24(22,23)13-7-19-12-6-9(16)3-4-10(12)13/h2-7,19H,1H2,(H,20,21).
What are the key properties of 6-chloro-N-(5-ethenyl-3,6-difluoro-2-pyridinyl)-1H-indole-3-sulfonamide?
6-chloro-N-(5-ethenyl-3,6-difluoro-2-pyridinyl)-1H-indole-3-sulfonamide has a molecular weight of 369.78 g/mol, XLogP of 3.94, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(5-ethenyl-3,6-difluoro-2-pyridinyl)-1H-indole-3-sulfonamide is sourced from PubChem (CID 135201227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).