N-(5-chloro-2-pyrazol-1-ylphenyl)-3-fluoro-4-methylbenzenesulfonamide

C16H13ClFN3O2S — CID 60534230

IUPACN-(5-chloro-2-pyrazol-1-ylphenyl)-3-fluoro-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2cc(Cl)ccc2-n2cccn2)cc1F
InChIInChI=1S/C16H13ClFN3O2S/c1-11-3-5-13(10-14(11)18)24(22,23)20-15-9-12(17)4-6-16(15)21-8-2-7-19-21/h2-10,20H,1H3
InChIKeyNDBXQJIEJDQCDX-UHFFFAOYSA-N
MW365.82 g/mol
LogP3.77
Rot. Bonds4

About N-(5-chloro-2-pyrazol-1-ylphenyl)-3-fluoro-4-methylbenzenesulfonamide

N-(5-chloro-2-pyrazol-1-ylphenyl)-3-fluoro-4-methylbenzenesulfonamide (PubChem CID 60534230) has the molecular formula C16H13ClFN3O2S and a molecular weight of 365.82 g/mol. Its IUPAC name is N-(5-chloro-2-pyrazol-1-ylphenyl)-3-fluoro-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(5-chloro-2-pyrazol-1-ylphenyl)-3-fluoro-4-methylbenzenesulfonamide
PubChem CID60534230
Molecular FormulaC16H13ClFN3O2S
Molecular Weight365.82 g/mol
Exact Mass365.04
IUPAC NameN-(5-chloro-2-pyrazol-1-ylphenyl)-3-fluoro-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2cc(Cl)ccc2-n2cccn2)cc1F
InChIInChI=1S/C16H13ClFN3O2S/c1-11-3-5-13(10-14(11)18)24(22,23)20-15-9-12(17)4-6-16(15)21-8-2-7-19-21/h2-10,20H,1H3
InChIKeyNDBXQJIEJDQCDX-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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Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-pyrazol-1-ylphenyl)-3-fluoro-4-methylbenzenesulfonamide?
The IUPAC name of N-(5-chloro-2-pyrazol-1-ylphenyl)-3-fluoro-4-methylbenzenesulfonamide (CID 60534230) is N-(5-chloro-2-pyrazol-1-ylphenyl)-3-fluoro-4-methylbenzenesulfonamide.
What is the SMILES notation for N-(5-chloro-2-pyrazol-1-ylphenyl)-3-fluoro-4-methylbenzenesulfonamide?
The canonical SMILES for N-(5-chloro-2-pyrazol-1-ylphenyl)-3-fluoro-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2cc(Cl)ccc2-n2cccn2)cc1F.
What is the InChIKey of N-(5-chloro-2-pyrazol-1-ylphenyl)-3-fluoro-4-methylbenzenesulfonamide?
The InChIKey is NDBXQJIEJDQCDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClFN3O2S/c1-11-3-5-13(10-14(11)18)24(22,23)20-15-9-12(17)4-6-16(15)21-8-2-7-19-21/h2-10,20H,1H3.
What are the key properties of N-(5-chloro-2-pyrazol-1-ylphenyl)-3-fluoro-4-methylbenzenesulfonamide?
N-(5-chloro-2-pyrazol-1-ylphenyl)-3-fluoro-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-(5-chloro-2-pyrazol-1-ylphenyl)-3-fluoro-4-methylbenzenesulfonamide is sourced from PubChem (CID 60534230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).