4-[4-[1-[4-(methanesulfonamido)phenyl]-3-(trifluoromethyl)pyrazol-5-yl]phenyl]benzamide;N-[4-[5-naphthalen-1-yl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]methanesulfonamide

C45H35F6N7O5S2 — CID 159710404

IUPAC4-[4-[1-[4-(methanesulfonamido)phenyl]-3-(trifluoromethyl)pyrazol-5-yl]phenyl]benzamide;N-[4-[5-naphthalen-1-yl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1ccc(-n2nc(C(F)(F)F)cc2-c2ccc(-c3ccc(C(N)=O)cc3)cc2)cc1.CS(=O)(=O)Nc1ccc(-n2nc(C(F)(F)F)cc2-c2cccc3ccccc23)cc1
InChIInChI=1S/C24H19F3N4O3S.C21H16F3N3O2S/c1-35(33,34)30-19-10-12-20(13-11-19)31-21(14-22(29-31)24(25,26)27)17-6-2-15(3-7-17)16-4-8-18(9-5-16)23(28)32;1-30(28,29)26-15-9-11-16(12-10-15)27-19(13-20(25-27)21(22,23)24)18-8-4-6-14-5-2-3-7-17(14)18/h2-14,30H,1H3,(H2,28,32);2-13,26H,1H3
InChIKeyMYTKWNBWLRASOL-UHFFFAOYSA-N
MW931.94 g/mol
LogP9.78
Rot. Bonds10

About 4-[4-[1-[4-(methanesulfonamido)phenyl]-3-(trifluoromethyl)pyrazol-5-yl]phenyl]benzamide;N-[4-[5-naphthalen-1-yl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]methanesulfonamide

4-[4-[1-[4-(methanesulfonamido)phenyl]-3-(trifluoromethyl)pyrazol-5-yl]phenyl]benzamide;N-[4-[5-naphthalen-1-yl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]methanesulfonamide (PubChem CID 159710404) has the molecular formula C45H35F6N7O5S2 and a molecular weight of 931.94 g/mol. Its IUPAC name is 4-[4-[1-[4-(methanesulfonamido)phenyl]-3-(trifluoromethyl)pyrazol-5-yl]phenyl]benzamide;N-[4-[5-naphthalen-1-yl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]methanesulfonamide.

Molecular Properties

Compound Name4-[4-[1-[4-(methanesulfonamido)phenyl]-3-(trifluoromethyl)pyrazol-5-yl]phenyl]benzamide;N-[4-[5-naphthalen-1-yl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]methanesulfonamide
PubChem CID159710404
Molecular FormulaC45H35F6N7O5S2
Molecular Weight931.94 g/mol
Exact Mass931.20
IUPAC Name4-[4-[1-[4-(methanesulfonamido)phenyl]-3-(trifluoromethyl)pyrazol-5-yl]phenyl]benzamide;N-[4-[5-naphthalen-1-yl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1ccc(-n2nc(C(F)(F)F)cc2-c2ccc(-c3ccc(C(N)=O)cc3)cc2)cc1.CS(=O)(=O)Nc1ccc(-n2nc(C(F)(F)F)cc2-c2cccc3ccccc23)cc1
InChIInChI=1S/C24H19F3N4O3S.C21H16F3N3O2S/c1-35(33,34)30-19-10-12-20(13-11-19)31-21(14-22(29-31)24(25,26)27)17-6-2-15(3-7-17)16-4-8-18(9-5-16)23(28)32;1-30(28,29)26-15-9-11-16(12-10-15)27-19(13-20(25-27)21(22,23)24)18-8-4-6-14-5-2-3-7-17(14)18/h2-14,30H,1H3,(H2,28,32);2-13,26H,1H3
InChIKeyMYTKWNBWLRASOL-UHFFFAOYSA-N
XLogP9.78
TPSA171.07 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500931.94
LogP ≤ 59.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze 4-[4-[1-[4-(methanesulfonamido)phenyl]-3-(trifluoromethyl)pyrazol-5-yl]phenyl]benzamide;N-[4-[5-naphthalen-1-yl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]methanesulfonamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[1-[4-(methanesulfonamido)phenyl]-3-(trifluoromethyl)pyrazol-5-yl]phenyl]benzamide;N-[4-[5-naphthalen-1-yl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]methanesulfonamide?
The IUPAC name of 4-[4-[1-[4-(methanesulfonamido)phenyl]-3-(trifluoromethyl)pyrazol-5-yl]phenyl]benzamide;N-[4-[5-naphthalen-1-yl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]methanesulfonamide (CID 159710404) is 4-[4-[1-[4-(methanesulfonamido)phenyl]-3-(trifluoromethyl)pyrazol-5-yl]phenyl]benzamide;N-[4-[5-naphthalen-1-yl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]methanesulfonamide.
What is the SMILES notation for 4-[4-[1-[4-(methanesulfonamido)phenyl]-3-(trifluoromethyl)pyrazol-5-yl]phenyl]benzamide;N-[4-[5-naphthalen-1-yl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]methanesulfonamide?
The canonical SMILES for 4-[4-[1-[4-(methanesulfonamido)phenyl]-3-(trifluoromethyl)pyrazol-5-yl]phenyl]benzamide;N-[4-[5-naphthalen-1-yl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]methanesulfonamide is CS(=O)(=O)Nc1ccc(-n2nc(C(F)(F)F)cc2-c2ccc(-c3ccc(C(N)=O)cc3)cc2)cc1.CS(=O)(=O)Nc1ccc(-n2nc(C(F)(F)F)cc2-c2cccc3ccccc23)cc1.
What is the InChIKey of 4-[4-[1-[4-(methanesulfonamido)phenyl]-3-(trifluoromethyl)pyrazol-5-yl]phenyl]benzamide;N-[4-[5-naphthalen-1-yl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]methanesulfonamide?
The InChIKey is MYTKWNBWLRASOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19F3N4O3S.C21H16F3N3O2S/c1-35(33,34)30-19-10-12-20(13-11-19)31-21(14-22(29-31)24(25,26)27)17-6-2-15(3-7-17)16-4-8-18(9-5-16)23(28)32;1-30(28,29)26-15-9-11-16(12-10-15)27-19(13-20(25-27)21(22,23)24)18-8-4-6-14-5-2-3-7-17(14)18/h2-14,30H,1H3,(H2,28,32);2-13,26H,1H3.
What are the key properties of 4-[4-[1-[4-(methanesulfonamido)phenyl]-3-(trifluoromethyl)pyrazol-5-yl]phenyl]benzamide;N-[4-[5-naphthalen-1-yl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]methanesulfonamide?
4-[4-[1-[4-(methanesulfonamido)phenyl]-3-(trifluoromethyl)pyrazol-5-yl]phenyl]benzamide;N-[4-[5-naphthalen-1-yl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]methanesulfonamide has a molecular weight of 931.94 g/mol, XLogP of 9.78, 10 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[1-[4-(methanesulfonamido)phenyl]-3-(trifluoromethyl)pyrazol-5-yl]phenyl]benzamide;N-[4-[5-naphthalen-1-yl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]methanesulfonamide is sourced from PubChem (CID 159710404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).