N-[1-(3-chloro-2-pyridinyl)pyrazol-3-yl]-5-fluorothiophene-2-sulfonamide

C12H8ClFN4O2S2 — CID 167845656

IUPACN-[1-(3-chloro-2-pyridinyl)pyrazol-3-yl]-5-fluorothiophene-2-sulfonamide
SMILESO=S(=O)(Nc1ccn(-c2ncccc2Cl)n1)c1ccc(F)s1
InChIInChI=1S/C12H8ClFN4O2S2/c13-8-2-1-6-15-12(8)18-7-5-10(16-18)17-22(19,20)11-4-3-9(14)21-11/h1-7H,(H,16,17)
InChIKeySIVOSIIHVYMTBL-UHFFFAOYSA-N
MW358.81 g/mol
LogP2.92
Rot. Bonds4

About N-[1-(3-chloro-2-pyridinyl)pyrazol-3-yl]-5-fluorothiophene-2-sulfonamide

N-[1-(3-chloro-2-pyridinyl)pyrazol-3-yl]-5-fluorothiophene-2-sulfonamide (PubChem CID 167845656) has the molecular formula C12H8ClFN4O2S2 and a molecular weight of 358.81 g/mol. Its IUPAC name is N-[1-(3-chloro-2-pyridinyl)pyrazol-3-yl]-5-fluorothiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[1-(3-chloro-2-pyridinyl)pyrazol-3-yl]-5-fluorothiophene-2-sulfonamide
PubChem CID167845656
Molecular FormulaC12H8ClFN4O2S2
Molecular Weight358.81 g/mol
Exact Mass357.98
IUPAC NameN-[1-(3-chloro-2-pyridinyl)pyrazol-3-yl]-5-fluorothiophene-2-sulfonamide
SMILESO=S(=O)(Nc1ccn(-c2ncccc2Cl)n1)c1ccc(F)s1
InChIInChI=1S/C12H8ClFN4O2S2/c13-8-2-1-6-15-12(8)18-7-5-10(16-18)17-22(19,20)11-4-3-9(14)21-11/h1-7H,(H,16,17)
InChIKeySIVOSIIHVYMTBL-UHFFFAOYSA-N
XLogP2.92
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.81
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(3-chloro-2-pyridinyl)-N-methylpyrazol-3-amine
CID 130684274
N-(2,3-dichlorophenyl)-5-fluorothiophene-2-sulfonamide
CID 91969516
5-chloro-N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]thiophene-2-sulfonamide
CID 22204232
N-[1-(3-chloro-2-pyridinyl)pyrazol-3-yl]-2-hydroxycyclopentane-1-carboxamide
CID 110016655
2-(3-bromopyrazol-1-yl)-3-chloropyridine
CID 174603551
3-chloro-2-[3-(difluoromethyl)pyrazol-1-yl]pyridine
CID 141187015
N-[1-(3-chloro-2-pyridinyl)pyrazol-3-yl]-2-fluorospiro[2.3]hexane-5-carboxamide
CID 155957425
2,4-dichloro-N-[1-(3-chloro-2-pyridinyl)pyrazol-3-yl]benzamide
CID 99626160
3-chloro-2-(3-methylsulfinylpyrazol-1-yl)pyridine
CID 91004341
N-[1-(3-chloro-2-pyridinyl)pyrazol-3-yl]-5-propan-2-ylpyridine-2-carboxamide
CID 155948532
N-[1-(3-chloro-2-pyridinyl)pyrazol-3-yl]-1-methyl-5-propylpyrazole-3-carboxamide
CID 155958138
[1-(3-chloro-2-pyridinyl)pyrazol-3-yl]methanetricarbonitrile
CID 141055745

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-chloro-2-pyridinyl)pyrazol-3-yl]-5-fluorothiophene-2-sulfonamide?
The IUPAC name of N-[1-(3-chloro-2-pyridinyl)pyrazol-3-yl]-5-fluorothiophene-2-sulfonamide (CID 167845656) is N-[1-(3-chloro-2-pyridinyl)pyrazol-3-yl]-5-fluorothiophene-2-sulfonamide.
What is the SMILES notation for N-[1-(3-chloro-2-pyridinyl)pyrazol-3-yl]-5-fluorothiophene-2-sulfonamide?
The canonical SMILES for N-[1-(3-chloro-2-pyridinyl)pyrazol-3-yl]-5-fluorothiophene-2-sulfonamide is O=S(=O)(Nc1ccn(-c2ncccc2Cl)n1)c1ccc(F)s1.
What is the InChIKey of N-[1-(3-chloro-2-pyridinyl)pyrazol-3-yl]-5-fluorothiophene-2-sulfonamide?
The InChIKey is SIVOSIIHVYMTBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClFN4O2S2/c13-8-2-1-6-15-12(8)18-7-5-10(16-18)17-22(19,20)11-4-3-9(14)21-11/h1-7H,(H,16,17).
What are the key properties of N-[1-(3-chloro-2-pyridinyl)pyrazol-3-yl]-5-fluorothiophene-2-sulfonamide?
N-[1-(3-chloro-2-pyridinyl)pyrazol-3-yl]-5-fluorothiophene-2-sulfonamide has a molecular weight of 358.81 g/mol, XLogP of 2.92, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-chloro-2-pyridinyl)pyrazol-3-yl]-5-fluorothiophene-2-sulfonamide is sourced from PubChem (CID 167845656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).