4-chloro-N-[4-[4-(4-methoxyphenyl)pyrazol-1-yl]phenyl]benzenesulfonamide

C22H18ClN3O3S — CID 4149169

IUPAC4-chloro-N-[4-[4-(4-methoxyphenyl)pyrazol-1-yl]phenyl]benzenesulfonamide
SMILESCOc1ccc(-c2cnn(-c3ccc(NS(=O)(=O)c4ccc(Cl)cc4)cc3)c2)cc1
InChIInChI=1S/C22H18ClN3O3S/c1-29-21-10-2-16(3-11-21)17-14-24-26(15-17)20-8-6-19(7-9-20)25-30(27,28)22-12-4-18(23)5-13-22/h2-15,25H,1H3
InChIKeyDWIXHDHMFRMGMG-UHFFFAOYSA-N
MW439.92 g/mol
LogP5.00
Rot. Bonds6

About 4-chloro-N-[4-[4-(4-methoxyphenyl)pyrazol-1-yl]phenyl]benzenesulfonamide

4-chloro-N-[4-[4-(4-methoxyphenyl)pyrazol-1-yl]phenyl]benzenesulfonamide (PubChem CID 4149169) has the molecular formula C22H18ClN3O3S and a molecular weight of 439.92 g/mol. Its IUPAC name is 4-chloro-N-[4-[4-(4-methoxyphenyl)pyrazol-1-yl]phenyl]benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-[4-[4-(4-methoxyphenyl)pyrazol-1-yl]phenyl]benzenesulfonamide
PubChem CID4149169
Molecular FormulaC22H18ClN3O3S
Molecular Weight439.92 g/mol
Exact Mass439.08
IUPAC Name4-chloro-N-[4-[4-(4-methoxyphenyl)pyrazol-1-yl]phenyl]benzenesulfonamide
SMILESCOc1ccc(-c2cnn(-c3ccc(NS(=O)(=O)c4ccc(Cl)cc4)cc3)c2)cc1
InChIInChI=1S/C22H18ClN3O3S/c1-29-21-10-2-16(3-11-21)17-14-24-26(15-17)20-8-6-19(7-9-20)25-30(27,28)22-12-4-18(23)5-13-22/h2-15,25H,1H3
InChIKeyDWIXHDHMFRMGMG-UHFFFAOYSA-N
XLogP5.00
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.92
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-N-(4-methoxyphenyl)benzenesulfonamide
CID 722849
2,6-dichloro-N-[4-[4-(4-methoxyphenyl)pyrazol-1-yl]phenyl]pyridine-4-carboxamide
CID 4091148
4-chloro-N-[4-[3-(4-methoxyphenyl)-2-propan-2-yl-3,4-dihydropyrazol-5-yl]phenyl]benzenesulfonamide
CID 71085024
4-chloro-N-[1-(1-phenylpyrazol-4-yl)pyrazol-4-yl]benzenesulfonamide
CID 17383692
4-chloro-N-[4-(4-chlorophenoxy)phenyl]benzenesulfonamide
CID 5010043
4-chloro-N-[4-[5-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]phenyl]benzenesulfonamide
CID 10527153
4-chloro-N-[6-(4-methoxyanilino)pyridazin-3-yl]benzenesulfonamide
CID 113048349
3-[(4-chlorophenyl)sulfonylamino]-N-[1-(3-methoxyphenyl)pyrazol-4-yl]benzamide
CID 155555935
4-[(4-chlorophenyl)sulfonylamino]-N-(4-methylphenyl)benzenesulfonamide
CID 3719852
N-[4-(6,7-dichloro-3H-pyrrolo[3,2-b]pyridin-2-yl)phenyl]-4-methoxybenzenesulfonamide
CID 159412968
4-chloro-N-[4-[[4-(4-methoxyanilino)-6-methylpyrimidin-2-yl]amino]phenyl]benzenesulfonamide
CID 27478598
N-[4-[[4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]imidazol-1-yl]methyl]phenyl]-4-methoxybenzenesulfonamide
CID 50769168

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[4-[4-(4-methoxyphenyl)pyrazol-1-yl]phenyl]benzenesulfonamide?
The IUPAC name of 4-chloro-N-[4-[4-(4-methoxyphenyl)pyrazol-1-yl]phenyl]benzenesulfonamide (CID 4149169) is 4-chloro-N-[4-[4-(4-methoxyphenyl)pyrazol-1-yl]phenyl]benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-[4-[4-(4-methoxyphenyl)pyrazol-1-yl]phenyl]benzenesulfonamide?
The canonical SMILES for 4-chloro-N-[4-[4-(4-methoxyphenyl)pyrazol-1-yl]phenyl]benzenesulfonamide is COc1ccc(-c2cnn(-c3ccc(NS(=O)(=O)c4ccc(Cl)cc4)cc3)c2)cc1.
What is the InChIKey of 4-chloro-N-[4-[4-(4-methoxyphenyl)pyrazol-1-yl]phenyl]benzenesulfonamide?
The InChIKey is DWIXHDHMFRMGMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18ClN3O3S/c1-29-21-10-2-16(3-11-21)17-14-24-26(15-17)20-8-6-19(7-9-20)25-30(27,28)22-12-4-18(23)5-13-22/h2-15,25H,1H3.
What are the key properties of 4-chloro-N-[4-[4-(4-methoxyphenyl)pyrazol-1-yl]phenyl]benzenesulfonamide?
4-chloro-N-[4-[4-(4-methoxyphenyl)pyrazol-1-yl]phenyl]benzenesulfonamide has a molecular weight of 439.92 g/mol, XLogP of 5.00, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[4-[4-(4-methoxyphenyl)pyrazol-1-yl]phenyl]benzenesulfonamide is sourced from PubChem (CID 4149169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).