N-[2-(4-chloropyrazol-1-yl)-5-fluorophenyl]-4-methylbenzenesulfonamide

C16H13ClFN3O2S — CID 169372198

IUPACN-[2-(4-chloropyrazol-1-yl)-5-fluorophenyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2cc(F)ccc2-n2cc(Cl)cn2)cc1
InChIInChI=1S/C16H13ClFN3O2S/c1-11-2-5-14(6-3-11)24(22,23)20-15-8-13(18)4-7-16(15)21-10-12(17)9-19-21/h2-10,20H,1H3
InChIKeyCKBJEXSGIBUEKB-UHFFFAOYSA-N
MW365.82 g/mol
LogP3.77
Rot. Bonds4

About N-[2-(4-chloropyrazol-1-yl)-5-fluorophenyl]-4-methylbenzenesulfonamide

N-[2-(4-chloropyrazol-1-yl)-5-fluorophenyl]-4-methylbenzenesulfonamide (PubChem CID 169372198) has the molecular formula C16H13ClFN3O2S and a molecular weight of 365.82 g/mol. Its IUPAC name is N-[2-(4-chloropyrazol-1-yl)-5-fluorophenyl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[2-(4-chloropyrazol-1-yl)-5-fluorophenyl]-4-methylbenzenesulfonamide
PubChem CID169372198
Molecular FormulaC16H13ClFN3O2S
Molecular Weight365.82 g/mol
Exact Mass365.04
IUPAC NameN-[2-(4-chloropyrazol-1-yl)-5-fluorophenyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2cc(F)ccc2-n2cc(Cl)cn2)cc1
InChIInChI=1S/C16H13ClFN3O2S/c1-11-2-5-14(6-3-11)24(22,23)20-15-8-13(18)4-7-16(15)21-10-12(17)9-19-21/h2-10,20H,1H3
InChIKeyCKBJEXSGIBUEKB-UHFFFAOYSA-N
XLogP3.77
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.82
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-chloro-4-(4-chloropyrazol-1-yl)phenyl]-4-methylbenzenesulfonamide
CID 169372186
4-tert-butyl-N-[4-chloro-2-(4-chloropyrazol-1-yl)phenyl]benzenesulfonamide
CID 25134743
N-(5-fluoro-2-morpholin-4-ylphenyl)-4-methylbenzenesulfonamide
CID 113092748
N-(2-ethynyl-5-fluorophenyl)-4-methylbenzenesulfonamide
CID 169225905
3,4-dichloro-N-(5-fluoro-2-methylphenyl)benzenesulfonamide
CID 8501117
N-(5-fluoro-2-pyrrolidin-1-ylphenyl)-4-propan-2-ylbenzenesulfonamide
CID 113092411
N-[3-chloro-4-[1-(4-fluorophenyl)pyrazol-4-yl]oxyphenyl]-4-methylbenzenesulfonamide
CID 46834203
(1S)-1-[2-(4-chloropyrazol-1-yl)-5-fluorophenyl]ethanol
CID 78941315
4-chloro-N-(5-fluoro-2-methoxyphenyl)benzenesulfonamide
CID 110776607
N-[4-fluoro-2-(2-hydroxyacetyl)phenyl]-4-methylbenzenesulfonamide
CID 153295632
N-[2-[(4-chlorophenyl)sulfonylamino]-4-methylphenyl]-4-methylbenzenesulfonamide
CID 2796859
N-[4-[4-(4-chloro-2-fluorophenyl)piperazin-1-yl]pyrimidin-5-yl]-4-methylbenzenesulfonamide
CID 139388681

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chloropyrazol-1-yl)-5-fluorophenyl]-4-methylbenzenesulfonamide?
The IUPAC name of N-[2-(4-chloropyrazol-1-yl)-5-fluorophenyl]-4-methylbenzenesulfonamide (CID 169372198) is N-[2-(4-chloropyrazol-1-yl)-5-fluorophenyl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[2-(4-chloropyrazol-1-yl)-5-fluorophenyl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[2-(4-chloropyrazol-1-yl)-5-fluorophenyl]-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2cc(F)ccc2-n2cc(Cl)cn2)cc1.
What is the InChIKey of N-[2-(4-chloropyrazol-1-yl)-5-fluorophenyl]-4-methylbenzenesulfonamide?
The InChIKey is CKBJEXSGIBUEKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClFN3O2S/c1-11-2-5-14(6-3-11)24(22,23)20-15-8-13(18)4-7-16(15)21-10-12(17)9-19-21/h2-10,20H,1H3.
What are the key properties of N-[2-(4-chloropyrazol-1-yl)-5-fluorophenyl]-4-methylbenzenesulfonamide?
N-[2-(4-chloropyrazol-1-yl)-5-fluorophenyl]-4-methylbenzenesulfonamide has a molecular weight of 365.82 g/mol, XLogP of 3.77, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chloropyrazol-1-yl)-5-fluorophenyl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 169372198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).