3-chloro-2-fluoro-N-(1H-pyrazol-5-yl)benzenesulfonamide

C9H7ClFN3O2S — CID 61394082

IUPAC3-chloro-2-fluoro-N-(1H-pyrazol-5-yl)benzenesulfonamide
SMILESO=S(=O)(Nc1ccn[nH]1)c1cccc(Cl)c1F
InChIInChI=1S/C9H7ClFN3O2S/c10-6-2-1-3-7(9(6)11)17(15,16)14-8-4-5-12-13-8/h1-5H,(H2,12,13,14)
InChIKeyCBNQTZUYGVLFHO-UHFFFAOYSA-N
MW275.69 g/mol
LogP2.00
Rot. Bonds3

About 3-chloro-2-fluoro-N-(1H-pyrazol-5-yl)benzenesulfonamide

3-chloro-2-fluoro-N-(1H-pyrazol-5-yl)benzenesulfonamide (PubChem CID 61394082) has the molecular formula C9H7ClFN3O2S and a molecular weight of 275.69 g/mol. Its IUPAC name is 3-chloro-2-fluoro-N-(1H-pyrazol-5-yl)benzenesulfonamide.

Molecular Properties

Compound Name3-chloro-2-fluoro-N-(1H-pyrazol-5-yl)benzenesulfonamide
PubChem CID61394082
Molecular FormulaC9H7ClFN3O2S
Molecular Weight275.69 g/mol
Exact Mass274.99
IUPAC Name3-chloro-2-fluoro-N-(1H-pyrazol-5-yl)benzenesulfonamide
SMILESO=S(=O)(Nc1ccn[nH]1)c1cccc(Cl)c1F
InChIInChI=1S/C9H7ClFN3O2S/c10-6-2-1-3-7(9(6)11)17(15,16)14-8-4-5-12-13-8/h1-5H,(H2,12,13,14)
InChIKeyCBNQTZUYGVLFHO-UHFFFAOYSA-N
XLogP2.00
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.69
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-4-bromo-5-chloro-2-fluoro-N-(1H-pyrazol-5-yl)benzenesulfonamide
CID 103077395
4-amino-2-chloro-N-(1H-pyrazol-5-yl)benzenesulfonamide
CID 61393032
N-(1H-pyrazol-5-yl)-2,1,3-benzothiadiazole-4-sulfonamide
CID 61394195
5-amino-2-fluoro-3-methyl-N-(1H-pyrazol-5-yl)benzenesulfonamide
CID 80646555
3-chloro-2-fluoro-N-(2-hydroxyethyl)benzenesulfonamide
CID 43502012
4-bromo-2,6-dichloro-N-(1H-pyrazol-5-yl)benzenesulfonamide
CID 61394406
4-amino-2,6-dichloro-N-(1H-pyrazol-5-yl)benzenesulfonamide
CID 61393048
3-chloro-2-fluoro-N-(1H-imidazol-2-ylmethyl)benzenesulfonamide
CID 64532116
2-bromo-4,6-difluoro-N-(1H-pyrazol-5-yl)benzenesulfonamide
CID 61394148
3-chloro-2-fluoro-N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]benzenesulfonamide
CID 60531782
N-(3-azabicyclo[3.1.0]hexan-6-yl)-3-chloro-2-fluorobenzenesulfonamide
CID 43597421
3-chloro-2-fluoro-N-[3-(trifluoromethoxy)phenyl]benzenesulfonamide
CID 60531938

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-fluoro-N-(1H-pyrazol-5-yl)benzenesulfonamide?
The IUPAC name of 3-chloro-2-fluoro-N-(1H-pyrazol-5-yl)benzenesulfonamide (CID 61394082) is 3-chloro-2-fluoro-N-(1H-pyrazol-5-yl)benzenesulfonamide.
What is the SMILES notation for 3-chloro-2-fluoro-N-(1H-pyrazol-5-yl)benzenesulfonamide?
The canonical SMILES for 3-chloro-2-fluoro-N-(1H-pyrazol-5-yl)benzenesulfonamide is O=S(=O)(Nc1ccn[nH]1)c1cccc(Cl)c1F.
What is the InChIKey of 3-chloro-2-fluoro-N-(1H-pyrazol-5-yl)benzenesulfonamide?
The InChIKey is CBNQTZUYGVLFHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClFN3O2S/c10-6-2-1-3-7(9(6)11)17(15,16)14-8-4-5-12-13-8/h1-5H,(H2,12,13,14).
What are the key properties of 3-chloro-2-fluoro-N-(1H-pyrazol-5-yl)benzenesulfonamide?
3-chloro-2-fluoro-N-(1H-pyrazol-5-yl)benzenesulfonamide has a molecular weight of 275.69 g/mol, XLogP of 2.00, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-fluoro-N-(1H-pyrazol-5-yl)benzenesulfonamide is sourced from PubChem (CID 61394082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).