4-chloro-N-[2-(4-methyl-2-pyridinyl)pyrazol-3-yl]benzenesulfonamide;N-[2-(4-methyl-2-pyridinyl)pyrazol-3-yl]-4-(trifluoromethyl)benzenesulfonamide

C31H26ClF3N8O4S2 — CID 90286006

IUPAC4-chloro-N-[2-(4-methyl-2-pyridinyl)pyrazol-3-yl]benzenesulfonamide;N-[2-(4-methyl-2-pyridinyl)pyrazol-3-yl]-4-(trifluoromethyl)benzenesulfonamide
SMILESCc1ccnc(-n2nccc2NS(=O)(=O)c2ccc(C(F)(F)F)cc2)c1.Cc1ccnc(-n2nccc2NS(=O)(=O)c2ccc(Cl)cc2)c1
InChIInChI=1S/C16H13F3N4O2S.C15H13ClN4O2S/c1-11-6-8-20-15(10-11)23-14(7-9-21-23)22-26(24,25)13-4-2-12(3-5-13)16(17,18)19;1-11-6-8-17-15(10-11)20-14(7-9-18-20)19-23(21,22)13-4-2-12(16)3-5-13/h2-10,22H,1H3;2-10,19H,1H3
InChIKeyWUPFHOCDGMIVIF-UHFFFAOYSA-N
MW731.18 g/mol
LogP6.43
Rot. Bonds8

About 4-chloro-N-[2-(4-methyl-2-pyridinyl)pyrazol-3-yl]benzenesulfonamide;N-[2-(4-methyl-2-pyridinyl)pyrazol-3-yl]-4-(trifluoromethyl)benzenesulfonamide

4-chloro-N-[2-(4-methyl-2-pyridinyl)pyrazol-3-yl]benzenesulfonamide;N-[2-(4-methyl-2-pyridinyl)pyrazol-3-yl]-4-(trifluoromethyl)benzenesulfonamide (PubChem CID 90286006) has the molecular formula C31H26ClF3N8O4S2 and a molecular weight of 731.18 g/mol. Its IUPAC name is 4-chloro-N-[2-(4-methyl-2-pyridinyl)pyrazol-3-yl]benzenesulfonamide;N-[2-(4-methyl-2-pyridinyl)pyrazol-3-yl]-4-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-[2-(4-methyl-2-pyridinyl)pyrazol-3-yl]benzenesulfonamide;N-[2-(4-methyl-2-pyridinyl)pyrazol-3-yl]-4-(trifluoromethyl)benzenesulfonamide
PubChem CID90286006
Molecular FormulaC31H26ClF3N8O4S2
Molecular Weight731.18 g/mol
Exact Mass730.12
IUPAC Name4-chloro-N-[2-(4-methyl-2-pyridinyl)pyrazol-3-yl]benzenesulfonamide;N-[2-(4-methyl-2-pyridinyl)pyrazol-3-yl]-4-(trifluoromethyl)benzenesulfonamide
SMILESCc1ccnc(-n2nccc2NS(=O)(=O)c2ccc(C(F)(F)F)cc2)c1.Cc1ccnc(-n2nccc2NS(=O)(=O)c2ccc(Cl)cc2)c1
InChIInChI=1S/C16H13F3N4O2S.C15H13ClN4O2S/c1-11-6-8-20-15(10-11)23-14(7-9-21-23)22-26(24,25)13-4-2-12(3-5-13)16(17,18)19;1-11-6-8-17-15(10-11)20-14(7-9-18-20)19-23(21,22)13-4-2-12(16)3-5-13/h2-10,22H,1H3;2-10,19H,1H3
InChIKeyWUPFHOCDGMIVIF-UHFFFAOYSA-N
XLogP6.43
TPSA153.76 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500731.18
LogP ≤ 56.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 4-chloro-N-[2-(4-methyl-2-pyridinyl)pyrazol-3-yl]benzenesulfonamide;N-[2-(4-methyl-2-pyridinyl)pyrazol-3-yl]-4-(trifluoromethyl)benzenesulfonamide with MolForge

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Related Compounds

4-chloro-N-[4-(trifluoromethyl)-2-pyridinyl]benzenesulfonamide
CID 86785423
3,4-difluoro-N-[2-(6-methylpyridazin-3-yl)pyrazol-3-yl]benzenesulfonamide
CID 166225138
N-(2-chloro-4-pyridinyl)-4-(trifluoromethyl)benzenesulfonamide
CID 103944025
4-(1-fluoroethyl)-N-(2-pyridin-2-ylpyrazol-3-yl)benzenesulfonamide
CID 90285721
2-[5-chloro-4-methyl-3-(trifluoromethyl)pyrazol-1-yl]-4-methylpyridine
CID 66021406
methyl 4-[[2-(4-methyl-2-pyridinyl)pyrazol-3-yl]sulfamoylmethyl]benzoate
CID 167871527
N-(2,6-dichlorophenyl)-4-(trifluoromethyl)benzenesulfonamide
CID 112769183
N-(1-pyridin-2-ylpyrazol-4-yl)-4-(trifluoromethyl)benzenesulfonamide
CID 166211989
3,4-difluoro-N-(2-methylpyrazol-3-yl)benzenesulfonamide
CID 25046115
4-tert-butyl-N-[3-(4-chlorophenyl)-1-methylpyrazol-5-yl]benzenesulfonamide
CID 3781906
4-chloro-N-(4-methylpyrimidin-2-yl)benzenesulfonamide
CID 6465342
N-(2-methoxypyrimidin-5-yl)-4-(trifluoromethyl)benzenesulfonamide
CID 91968408

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[2-(4-methyl-2-pyridinyl)pyrazol-3-yl]benzenesulfonamide;N-[2-(4-methyl-2-pyridinyl)pyrazol-3-yl]-4-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of 4-chloro-N-[2-(4-methyl-2-pyridinyl)pyrazol-3-yl]benzenesulfonamide;N-[2-(4-methyl-2-pyridinyl)pyrazol-3-yl]-4-(trifluoromethyl)benzenesulfonamide (CID 90286006) is 4-chloro-N-[2-(4-methyl-2-pyridinyl)pyrazol-3-yl]benzenesulfonamide;N-[2-(4-methyl-2-pyridinyl)pyrazol-3-yl]-4-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-[2-(4-methyl-2-pyridinyl)pyrazol-3-yl]benzenesulfonamide;N-[2-(4-methyl-2-pyridinyl)pyrazol-3-yl]-4-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for 4-chloro-N-[2-(4-methyl-2-pyridinyl)pyrazol-3-yl]benzenesulfonamide;N-[2-(4-methyl-2-pyridinyl)pyrazol-3-yl]-4-(trifluoromethyl)benzenesulfonamide is Cc1ccnc(-n2nccc2NS(=O)(=O)c2ccc(C(F)(F)F)cc2)c1.Cc1ccnc(-n2nccc2NS(=O)(=O)c2ccc(Cl)cc2)c1.
What is the InChIKey of 4-chloro-N-[2-(4-methyl-2-pyridinyl)pyrazol-3-yl]benzenesulfonamide;N-[2-(4-methyl-2-pyridinyl)pyrazol-3-yl]-4-(trifluoromethyl)benzenesulfonamide?
The InChIKey is WUPFHOCDGMIVIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F3N4O2S.C15H13ClN4O2S/c1-11-6-8-20-15(10-11)23-14(7-9-21-23)22-26(24,25)13-4-2-12(3-5-13)16(17,18)19;1-11-6-8-17-15(10-11)20-14(7-9-18-20)19-23(21,22)13-4-2-12(16)3-5-13/h2-10,22H,1H3;2-10,19H,1H3.
What are the key properties of 4-chloro-N-[2-(4-methyl-2-pyridinyl)pyrazol-3-yl]benzenesulfonamide;N-[2-(4-methyl-2-pyridinyl)pyrazol-3-yl]-4-(trifluoromethyl)benzenesulfonamide?
4-chloro-N-[2-(4-methyl-2-pyridinyl)pyrazol-3-yl]benzenesulfonamide;N-[2-(4-methyl-2-pyridinyl)pyrazol-3-yl]-4-(trifluoromethyl)benzenesulfonamide has a molecular weight of 731.18 g/mol, XLogP of 6.43, 8 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[2-(4-methyl-2-pyridinyl)pyrazol-3-yl]benzenesulfonamide;N-[2-(4-methyl-2-pyridinyl)pyrazol-3-yl]-4-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 90286006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).