6-chloro-N-[1-(5-fluoro-2-pyridinyl)pyrazol-3-yl]-1H-indole-3-sulfonamide

C16H11ClFN5O2S — CID 167894761

IUPAC6-chloro-N-[1-(5-fluoro-2-pyridinyl)pyrazol-3-yl]-1H-indole-3-sulfonamide
SMILESO=S(=O)(Nc1ccn(-c2ccc(F)cn2)n1)c1c[nH]c2cc(Cl)ccc12
InChIInChI=1S/C16H11ClFN5O2S/c17-10-1-3-12-13(7-10)19-9-14(12)26(24,25)22-15-5-6-23(21-15)16-4-2-11(18)8-20-16/h1-9,19H,(H,21,22)
InChIKeyHFYAXJWUGLKSHX-UHFFFAOYSA-N
MW391.82 g/mol
LogP3.34
Rot. Bonds4

About 6-chloro-N-[1-(5-fluoro-2-pyridinyl)pyrazol-3-yl]-1H-indole-3-sulfonamide

6-chloro-N-[1-(5-fluoro-2-pyridinyl)pyrazol-3-yl]-1H-indole-3-sulfonamide (PubChem CID 167894761) has the molecular formula C16H11ClFN5O2S and a molecular weight of 391.82 g/mol. Its IUPAC name is 6-chloro-N-[1-(5-fluoro-2-pyridinyl)pyrazol-3-yl]-1H-indole-3-sulfonamide.

Molecular Properties

Compound Name6-chloro-N-[1-(5-fluoro-2-pyridinyl)pyrazol-3-yl]-1H-indole-3-sulfonamide
PubChem CID167894761
Molecular FormulaC16H11ClFN5O2S
Molecular Weight391.82 g/mol
Exact Mass391.03
IUPAC Name6-chloro-N-[1-(5-fluoro-2-pyridinyl)pyrazol-3-yl]-1H-indole-3-sulfonamide
SMILESO=S(=O)(Nc1ccn(-c2ccc(F)cn2)n1)c1c[nH]c2cc(Cl)ccc12
InChIInChI=1S/C16H11ClFN5O2S/c17-10-1-3-12-13(7-10)19-9-14(12)26(24,25)22-15-5-6-23(21-15)16-4-2-11(18)8-20-16/h1-9,19H,(H,21,22)
InChIKeyHFYAXJWUGLKSHX-UHFFFAOYSA-N
XLogP3.34
TPSA92.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.82
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-chloro-N-(1,5-dimethylpyrazol-3-yl)-1H-indole-3-sulfonamide
CID 176710724
N-(5-bromopyrazin-2-yl)-6-chloro-1H-indole-3-sulfonamide
CID 150603744
6-chloro-N-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)-1H-indole-3-sulfonamide
CID 167746508
6-chloro-N-(2-chloro-3-fluorophenyl)-1H-indole-3-sulfonamide;N-(2,5-difluorophenyl)-5-iodo-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide
CID 158335976
6-chloro-N-imidazo[5,1-b][1,3]thiazol-5-yl-1H-indole-3-sulfonamide
CID 176710619
carbanide;6-chloro-N-(2,5-difluoro-3-pyridinyl)-1H-indole-3-sulfonamide;6-chloro-1H-indole-3-sulfonyl chloride;2,5-difluoropyridin-3-amine;iodide
CID 159489469
N-(4-bromo-2,5-difluorophenyl)-6-chloro-1H-indole-3-sulfonamide
CID 135201048
6-chloro-N-(5-ethenyl-3,6-difluoro-2-pyridinyl)-1H-indole-3-sulfonamide
CID 135201227
6-chloro-N-[5-chloro-3-fluoro-6-(fluoromethyl)-2-pyridinyl]-1H-indole-3-sulfonamide
CID 135191791
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-(4-methylthiophen-3-yl)-1H-indole-3-sulfonamide
CID 176711099
6-chloro-N-(4-cyano-2,5-difluorophenyl)-1H-indole-3-sulfonamide
CID 135188166

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[1-(5-fluoro-2-pyridinyl)pyrazol-3-yl]-1H-indole-3-sulfonamide?
The IUPAC name of 6-chloro-N-[1-(5-fluoro-2-pyridinyl)pyrazol-3-yl]-1H-indole-3-sulfonamide (CID 167894761) is 6-chloro-N-[1-(5-fluoro-2-pyridinyl)pyrazol-3-yl]-1H-indole-3-sulfonamide.
What is the SMILES notation for 6-chloro-N-[1-(5-fluoro-2-pyridinyl)pyrazol-3-yl]-1H-indole-3-sulfonamide?
The canonical SMILES for 6-chloro-N-[1-(5-fluoro-2-pyridinyl)pyrazol-3-yl]-1H-indole-3-sulfonamide is O=S(=O)(Nc1ccn(-c2ccc(F)cn2)n1)c1c[nH]c2cc(Cl)ccc12.
What is the InChIKey of 6-chloro-N-[1-(5-fluoro-2-pyridinyl)pyrazol-3-yl]-1H-indole-3-sulfonamide?
The InChIKey is HFYAXJWUGLKSHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClFN5O2S/c17-10-1-3-12-13(7-10)19-9-14(12)26(24,25)22-15-5-6-23(21-15)16-4-2-11(18)8-20-16/h1-9,19H,(H,21,22).
What are the key properties of 6-chloro-N-[1-(5-fluoro-2-pyridinyl)pyrazol-3-yl]-1H-indole-3-sulfonamide?
6-chloro-N-[1-(5-fluoro-2-pyridinyl)pyrazol-3-yl]-1H-indole-3-sulfonamide has a molecular weight of 391.82 g/mol, XLogP of 3.34, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[1-(5-fluoro-2-pyridinyl)pyrazol-3-yl]-1H-indole-3-sulfonamide is sourced from PubChem (CID 167894761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).