N-[3-chloro-4-[1-(4-fluorophenyl)pyrazol-4-yl]oxyphenyl]-4-methylbenzenesulfonamide

C22H17ClFN3O3S — CID 46834203

IUPACN-[3-chloro-4-[1-(4-fluorophenyl)pyrazol-4-yl]oxyphenyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(Oc3cnn(-c4ccc(F)cc4)c3)c(Cl)c2)cc1
InChIInChI=1S/C22H17ClFN3O3S/c1-15-2-9-20(10-3-15)31(28,29)26-17-6-11-22(21(23)12-17)30-19-13-25-27(14-19)18-7-4-16(24)5-8-18/h2-14,26H,1H3
InChIKeyZRFYKRVSXGCZNF-UHFFFAOYSA-N
MW457.91 g/mol
LogP5.57
Rot. Bonds6

About N-[3-chloro-4-[1-(4-fluorophenyl)pyrazol-4-yl]oxyphenyl]-4-methylbenzenesulfonamide

N-[3-chloro-4-[1-(4-fluorophenyl)pyrazol-4-yl]oxyphenyl]-4-methylbenzenesulfonamide (PubChem CID 46834203) has the molecular formula C22H17ClFN3O3S and a molecular weight of 457.91 g/mol. Its IUPAC name is N-[3-chloro-4-[1-(4-fluorophenyl)pyrazol-4-yl]oxyphenyl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[3-chloro-4-[1-(4-fluorophenyl)pyrazol-4-yl]oxyphenyl]-4-methylbenzenesulfonamide
PubChem CID46834203
Molecular FormulaC22H17ClFN3O3S
Molecular Weight457.91 g/mol
Exact Mass457.07
IUPAC NameN-[3-chloro-4-[1-(4-fluorophenyl)pyrazol-4-yl]oxyphenyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(Oc3cnn(-c4ccc(F)cc4)c3)c(Cl)c2)cc1
InChIInChI=1S/C22H17ClFN3O3S/c1-15-2-9-20(10-3-15)31(28,29)26-17-6-11-22(21(23)12-17)30-19-13-25-27(14-19)18-7-4-16(24)5-8-18/h2-14,26H,1H3
InChIKeyZRFYKRVSXGCZNF-UHFFFAOYSA-N
XLogP5.57
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.91
LogP ≤ 55.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2,4-dichloro-N-[3-chloro-4-[1-(4-fluorophenyl)pyrazol-4-yl]oxy-5-methylphenyl]benzenesulfonamide
CID 70871008
N-[3-chloro-4-(4-chloropyrazol-1-yl)phenyl]-4-methylbenzenesulfonamide
CID 169372186
N-(3,4-dichlorophenyl)-4-fluorobenzenesulfonamide
CID 711099
N-[3-chloro-4-[[3-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-4-methylbenzenesulfonamide
CID 169370063
4-fluoro-N-[4-(3-methylpyrazol-1-yl)phenyl]benzenesulfonamide
CID 35521119
N-[3-fluoro-4-(4-methoxyphenoxy)phenyl]-4-methylbenzenesulfonamide
CID 169371317
4-chloro-N-[4-[4-(4-methoxyphenyl)pyrazol-1-yl]phenyl]benzenesulfonamide
CID 4149169
N-[2-(4-chloropyrazol-1-yl)-5-fluorophenyl]-4-methylbenzenesulfonamide
CID 169372198
2-chloro-N-[4-[(4-fluorophenyl)sulfonylamino]phenyl]-4-methylbenzenesulfonamide
CID 24629200
N-[3-(2,4-dichlorophenoxy)-5-nitrophenyl]-4-methylbenzenesulfonamide
CID 169371120
N-(4-chloro-3-methoxyphenyl)-4-methylbenzenesulfonamide
CID 169369934
N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-4-methylbenzenesulfonamide
CID 52782034

Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-4-[1-(4-fluorophenyl)pyrazol-4-yl]oxyphenyl]-4-methylbenzenesulfonamide?
The IUPAC name of N-[3-chloro-4-[1-(4-fluorophenyl)pyrazol-4-yl]oxyphenyl]-4-methylbenzenesulfonamide (CID 46834203) is N-[3-chloro-4-[1-(4-fluorophenyl)pyrazol-4-yl]oxyphenyl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[3-chloro-4-[1-(4-fluorophenyl)pyrazol-4-yl]oxyphenyl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[3-chloro-4-[1-(4-fluorophenyl)pyrazol-4-yl]oxyphenyl]-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2ccc(Oc3cnn(-c4ccc(F)cc4)c3)c(Cl)c2)cc1.
What is the InChIKey of N-[3-chloro-4-[1-(4-fluorophenyl)pyrazol-4-yl]oxyphenyl]-4-methylbenzenesulfonamide?
The InChIKey is ZRFYKRVSXGCZNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17ClFN3O3S/c1-15-2-9-20(10-3-15)31(28,29)26-17-6-11-22(21(23)12-17)30-19-13-25-27(14-19)18-7-4-16(24)5-8-18/h2-14,26H,1H3.
What are the key properties of N-[3-chloro-4-[1-(4-fluorophenyl)pyrazol-4-yl]oxyphenyl]-4-methylbenzenesulfonamide?
N-[3-chloro-4-[1-(4-fluorophenyl)pyrazol-4-yl]oxyphenyl]-4-methylbenzenesulfonamide has a molecular weight of 457.91 g/mol, XLogP of 5.57, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-4-[1-(4-fluorophenyl)pyrazol-4-yl]oxyphenyl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 46834203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).