2,4-dichloro-N-[3-chloro-4-[1-(4-fluorophenyl)pyrazol-4-yl]oxy-5-methylphenyl]benzenesulfonamide

C22H15Cl3FN3O3S — CID 70871008

IUPAC2,4-dichloro-N-[3-chloro-4-[1-(4-fluorophenyl)pyrazol-4-yl]oxy-5-methylphenyl]benzenesulfonamide
SMILESCc1cc(NS(=O)(=O)c2ccc(Cl)cc2Cl)cc(Cl)c1Oc1cnn(-c2ccc(F)cc2)c1
InChIInChI=1S/C22H15Cl3FN3O3S/c1-13-8-16(28-33(30,31)21-7-2-14(23)9-19(21)24)10-20(25)22(13)32-18-11-27-29(12-18)17-5-3-15(26)4-6-17/h2-12,28H,1H3
InChIKeyDQYUNBKVXGLXGH-UHFFFAOYSA-N
MW526.80 g/mol
LogP6.87
Rot. Bonds6

About 2,4-dichloro-N-[3-chloro-4-[1-(4-fluorophenyl)pyrazol-4-yl]oxy-5-methylphenyl]benzenesulfonamide

2,4-dichloro-N-[3-chloro-4-[1-(4-fluorophenyl)pyrazol-4-yl]oxy-5-methylphenyl]benzenesulfonamide (PubChem CID 70871008) has the molecular formula C22H15Cl3FN3O3S and a molecular weight of 526.80 g/mol. Its IUPAC name is 2,4-dichloro-N-[3-chloro-4-[1-(4-fluorophenyl)pyrazol-4-yl]oxy-5-methylphenyl]benzenesulfonamide.

Molecular Properties

Compound Name2,4-dichloro-N-[3-chloro-4-[1-(4-fluorophenyl)pyrazol-4-yl]oxy-5-methylphenyl]benzenesulfonamide
PubChem CID70871008
Molecular FormulaC22H15Cl3FN3O3S
Molecular Weight526.80 g/mol
Exact Mass524.99
IUPAC Name2,4-dichloro-N-[3-chloro-4-[1-(4-fluorophenyl)pyrazol-4-yl]oxy-5-methylphenyl]benzenesulfonamide
SMILESCc1cc(NS(=O)(=O)c2ccc(Cl)cc2Cl)cc(Cl)c1Oc1cnn(-c2ccc(F)cc2)c1
InChIInChI=1S/C22H15Cl3FN3O3S/c1-13-8-16(28-33(30,31)21-7-2-14(23)9-19(21)24)10-20(25)22(13)32-18-11-27-29(12-18)17-5-3-15(26)4-6-17/h2-12,28H,1H3
InChIKeyDQYUNBKVXGLXGH-UHFFFAOYSA-N
XLogP6.87
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500526.80
LogP ≤ 56.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-chloro-4-[1-(4-fluorophenyl)pyrazol-4-yl]oxyphenyl]-4-methylbenzenesulfonamide
CID 46834203
2,4-dichloro-N-[3-chloro-4-[(5-chloro-3-pyridinyl)oxy]phenyl]benzenesulfonamide;2,4-dichloro-N-[3,5-dichloro-4-[(5-chloro-3-pyridinyl)oxy]phenyl]benzenesulfonamide
CID 158112111
4-chloro-N-(3,5-dichloro-4-quinolin-3-yloxyphenyl)-2-methylbenzenesulfonamide
CID 70250383
benzenesulfonic acid;bis(2,4-dichloro-N-(3,5-dichloro-4-quinolin-3-yloxyphenyl)benzenesulfonamide);hydrochloride
CID 157299144
N-[1-[(2,4-dichlorophenyl)methyl]pyrazol-4-yl]-2,4-difluorobenzenesulfonamide
CID 22203015
2-chloro-4-fluoro-N-[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]benzenesulfonamide
CID 3839906
1-(4-fluorophenyl)-4-methoxypyrazole
CID 117229730
2,4-dichloro-N-[4-(4,5-dichloroimidazol-1-yl)phenyl]benzenesulfonamide
CID 3851178
1-(4-chlorophenyl)-4-(4-methylphenoxy)pyrazole
CID 117229529
N-(3-chloro-4-methylphenyl)-2,5-difluorobenzenesulfonamide
CID 9234950
4-chloro-N-(3-chloro-4-fluorophenyl)-2-fluorobenzenesulfonamide
CID 4849983
N-(3-chloro-4-fluorophenyl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 54930110

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-[3-chloro-4-[1-(4-fluorophenyl)pyrazol-4-yl]oxy-5-methylphenyl]benzenesulfonamide?
The IUPAC name of 2,4-dichloro-N-[3-chloro-4-[1-(4-fluorophenyl)pyrazol-4-yl]oxy-5-methylphenyl]benzenesulfonamide (CID 70871008) is 2,4-dichloro-N-[3-chloro-4-[1-(4-fluorophenyl)pyrazol-4-yl]oxy-5-methylphenyl]benzenesulfonamide.
What is the SMILES notation for 2,4-dichloro-N-[3-chloro-4-[1-(4-fluorophenyl)pyrazol-4-yl]oxy-5-methylphenyl]benzenesulfonamide?
The canonical SMILES for 2,4-dichloro-N-[3-chloro-4-[1-(4-fluorophenyl)pyrazol-4-yl]oxy-5-methylphenyl]benzenesulfonamide is Cc1cc(NS(=O)(=O)c2ccc(Cl)cc2Cl)cc(Cl)c1Oc1cnn(-c2ccc(F)cc2)c1.
What is the InChIKey of 2,4-dichloro-N-[3-chloro-4-[1-(4-fluorophenyl)pyrazol-4-yl]oxy-5-methylphenyl]benzenesulfonamide?
The InChIKey is DQYUNBKVXGLXGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15Cl3FN3O3S/c1-13-8-16(28-33(30,31)21-7-2-14(23)9-19(21)24)10-20(25)22(13)32-18-11-27-29(12-18)17-5-3-15(26)4-6-17/h2-12,28H,1H3.
What are the key properties of 2,4-dichloro-N-[3-chloro-4-[1-(4-fluorophenyl)pyrazol-4-yl]oxy-5-methylphenyl]benzenesulfonamide?
2,4-dichloro-N-[3-chloro-4-[1-(4-fluorophenyl)pyrazol-4-yl]oxy-5-methylphenyl]benzenesulfonamide has a molecular weight of 526.80 g/mol, XLogP of 6.87, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-[3-chloro-4-[1-(4-fluorophenyl)pyrazol-4-yl]oxy-5-methylphenyl]benzenesulfonamide is sourced from PubChem (CID 70871008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).