3-chloro-4-fluoro-N-[(5-methyl-1H-pyrazol-4-yl)methyl]benzenesulfonamide

C11H11ClFN3O2S — CID 54896390

IUPAC3-chloro-4-fluoro-N-[(5-methyl-1H-pyrazol-4-yl)methyl]benzenesulfonamide
SMILESCc1[nH]ncc1CNS(=O)(=O)c1ccc(F)c(Cl)c1
InChIInChI=1S/C11H11ClFN3O2S/c1-7-8(5-14-16-7)6-15-19(17,18)9-2-3-11(13)10(12)4-9/h2-5,15H,6H2,1H3,(H,14,16)
InChIKeyOYFSOZCKARWJHQ-UHFFFAOYSA-N
MW303.75 g/mol
LogP1.99
Rot. Bonds4

About 3-chloro-4-fluoro-N-[(5-methyl-1H-pyrazol-4-yl)methyl]benzenesulfonamide

3-chloro-4-fluoro-N-[(5-methyl-1H-pyrazol-4-yl)methyl]benzenesulfonamide (PubChem CID 54896390) has the molecular formula C11H11ClFN3O2S and a molecular weight of 303.75 g/mol. Its IUPAC name is 3-chloro-4-fluoro-N-[(5-methyl-1H-pyrazol-4-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name3-chloro-4-fluoro-N-[(5-methyl-1H-pyrazol-4-yl)methyl]benzenesulfonamide
PubChem CID54896390
Molecular FormulaC11H11ClFN3O2S
Molecular Weight303.75 g/mol
Exact Mass303.02
IUPAC Name3-chloro-4-fluoro-N-[(5-methyl-1H-pyrazol-4-yl)methyl]benzenesulfonamide
SMILESCc1[nH]ncc1CNS(=O)(=O)c1ccc(F)c(Cl)c1
InChIInChI=1S/C11H11ClFN3O2S/c1-7-8(5-14-16-7)6-15-19(17,18)9-2-3-11(13)10(12)4-9/h2-5,15H,6H2,1H3,(H,14,16)
InChIKeyOYFSOZCKARWJHQ-UHFFFAOYSA-N
XLogP1.99
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.75
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-N-[1-(4,5-diethyl-1H-pyrazol-3-yl)ethyl]benzenesulfonamide
CID 24863649
3,5-dichloro-N-[4-(1H-pyrazol-5-yl)phenyl]benzenesulfonamide
CID 72547025
3-(4-chlorophenyl)-1H-pyrazole-4-sulfonyl chloride
CID 61394881
4-(4-chlorophenyl)sulfonyl-5-methyl-1H-pyrazole
CID 2819308
(3S)-1-(3-chloro-4-fluorophenyl)sulfonyl-3-(4-methyl-1H-pyrazol-5-yl)piperidine
CID 42431268
1-[(3-chloro-4-fluorophenyl)sulfonyl]-3-(4-methyl-1H-pyrazol-5-yl)piperidine
CID 45220619
2-chloro-N-(4,5-dimethyl-1H-pyrazol-3-yl)-4-fluorobenzenesulfonamide
CID 71850723
N-[4-chloro-5-(4-fluorophenyl)pyrazol-1-yl]benzenesulfonamide
CID 23209808
N-[5-(4-chlorophenyl)-4-fluoropyrazol-1-yl]benzenesulfonamide
CID 67648184
3-chloro-4-fluoro-N-methyl-N-[(4R)-4,5,6,7-tetrahydro-1H-indazol-4-yl]benzenesulfonamide
CID 141328268
N'-(2-chlorophenyl)-5-(trifluoromethyl)-1H-pyrazole-4-sulfonohydrazide
CID 169101240
(3R)-1-(2-chloro-4-fluorophenyl)sulfonyl-3-(4-methyl-1H-pyrazol-5-yl)piperidine
CID 29211441

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-fluoro-N-[(5-methyl-1H-pyrazol-4-yl)methyl]benzenesulfonamide?
The IUPAC name of 3-chloro-4-fluoro-N-[(5-methyl-1H-pyrazol-4-yl)methyl]benzenesulfonamide (CID 54896390) is 3-chloro-4-fluoro-N-[(5-methyl-1H-pyrazol-4-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 3-chloro-4-fluoro-N-[(5-methyl-1H-pyrazol-4-yl)methyl]benzenesulfonamide?
The canonical SMILES for 3-chloro-4-fluoro-N-[(5-methyl-1H-pyrazol-4-yl)methyl]benzenesulfonamide is Cc1[nH]ncc1CNS(=O)(=O)c1ccc(F)c(Cl)c1.
What is the InChIKey of 3-chloro-4-fluoro-N-[(5-methyl-1H-pyrazol-4-yl)methyl]benzenesulfonamide?
The InChIKey is OYFSOZCKARWJHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClFN3O2S/c1-7-8(5-14-16-7)6-15-19(17,18)9-2-3-11(13)10(12)4-9/h2-5,15H,6H2,1H3,(H,14,16).
What are the key properties of 3-chloro-4-fluoro-N-[(5-methyl-1H-pyrazol-4-yl)methyl]benzenesulfonamide?
3-chloro-4-fluoro-N-[(5-methyl-1H-pyrazol-4-yl)methyl]benzenesulfonamide has a molecular weight of 303.75 g/mol, XLogP of 1.99, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-fluoro-N-[(5-methyl-1H-pyrazol-4-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 54896390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).