N-ethyl-4-[5-(4-methylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide;4-[5-(4-ethylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide;methane;4-[5-(4-methylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide;propane

C58H60F9N9O6S3 — CID 161075964

IUPACN-ethyl-4-[5-(4-methylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide;4-[5-(4-ethylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide;methane;4-[5-(4-methylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide;propane
SMILESC.CCC.CCNS(=O)(=O)c1ccc(-n2nc(C(F)(F)F)cc2-c2ccc(C)cc2)cc1.CCc1ccc(-c2cc(C(F)(F)F)nn2-c2ccc(S(N)(=O)=O)cc2)cc1.Cc1ccc(-c2cc(C(F)(F)F)nn2-c2ccc(S(N)(=O)=O)cc2)cc1
InChIInChI=1S/C19H18F3N3O2S.C18H16F3N3O2S.C17H14F3N3O2S.C3H8.CH4/c1-3-23-28(26,27)16-10-8-15(9-11-16)25-17(12-18(24-25)19(20,21)22)14-6-4-13(2)5-7-14;1-2-12-3-5-13(6-4-12)16-11-17(18(19,20)21)23-24(16)14-7-9-15(10-8-14)27(22,25)26;1-11-2-4-12(5-3-11)15-10-16(17(18,19)20)22-23(15)13-6-8-14(9-7-13)26(21,24)25;1-3-2;/h4-12,23H,3H2,1-2H3;3-11H,2H2,1H3,(H2,22,25,26);2-10H,1H3,(H2,21,24,25);3H2,1-2H3;1H4
InChIKeyUFGVKVGEZQJCCN-UHFFFAOYSA-N
MW1246.36 g/mol
LogP13.50
Rot. Bonds12

About N-ethyl-4-[5-(4-methylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide;4-[5-(4-ethylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide;methane;4-[5-(4-methylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide;propane

N-ethyl-4-[5-(4-methylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide;4-[5-(4-ethylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide;methane;4-[5-(4-methylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide;propane (PubChem CID 161075964) has the molecular formula C58H60F9N9O6S3 and a molecular weight of 1246.36 g/mol. Its IUPAC name is N-ethyl-4-[5-(4-methylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide;4-[5-(4-ethylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide;methane;4-[5-(4-methylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide;propane.

Molecular Properties

Compound NameN-ethyl-4-[5-(4-methylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide;4-[5-(4-ethylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide;methane;4-[5-(4-methylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide;propane
PubChem CID161075964
Molecular FormulaC58H60F9N9O6S3
Molecular Weight1246.36 g/mol
Exact Mass1245.37
IUPAC NameN-ethyl-4-[5-(4-methylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide;4-[5-(4-ethylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide;methane;4-[5-(4-methylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide;propane
SMILESC.CCC.CCNS(=O)(=O)c1ccc(-n2nc(C(F)(F)F)cc2-c2ccc(C)cc2)cc1.CCc1ccc(-c2cc(C(F)(F)F)nn2-c2ccc(S(N)(=O)=O)cc2)cc1.Cc1ccc(-c2cc(C(F)(F)F)nn2-c2ccc(S(N)(=O)=O)cc2)cc1
InChIInChI=1S/C19H18F3N3O2S.C18H16F3N3O2S.C17H14F3N3O2S.C3H8.CH4/c1-3-23-28(26,27)16-10-8-15(9-11-16)25-17(12-18(24-25)19(20,21)22)14-6-4-13(2)5-7-14;1-2-12-3-5-13(6-4-12)16-11-17(18(19,20)21)23-24(16)14-7-9-15(10-8-14)27(22,25)26;1-11-2-4-12(5-3-11)15-10-16(17(18,19)20)22-23(15)13-6-8-14(9-7-13)26(21,24)25;1-3-2;/h4-12,23H,3H2,1-2H3;3-11H,2H2,1H3,(H2,22,25,26);2-10H,1H3,(H2,21,24,25);3H2,1-2H3;1H4
InChIKeyUFGVKVGEZQJCCN-UHFFFAOYSA-N
XLogP13.50
TPSA219.95 Ų
H-Bond Donors3
H-Bond Acceptors12
Rotatable Bonds12
Heavy Atoms85
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001246.36
LogP ≤ 513.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1012

Analyze N-ethyl-4-[5-(4-methylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide;4-[5-(4-ethylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide;methane;4-[5-(4-methylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide;propane with MolForge

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Related Compounds

1-(4-Aminosulfonylphenyl)-3-(p-tolyl)-5-(4-trifluoromethylphenyl)-1H-pyrazole (15h)
CID 118855482
N-(2-aminoethyl)-4-[5-(4-methylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide
CID 11362271
1-Benzyl-3-[4-[5-(p-tolyl)-3-(trifluoromethyl)pyrazol-1-yl]phenyl]sulfonyl-thiourea
CID 71598349
4-[5-[4-(Methylaminomethyl)phenyl]-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide
CID 118714700
4-[5-[4-(Ethylaminomethyl)phenyl]-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide
CID 118714713
Celecoxib 4-[5-(4-methylphenyl)-3-(trifluoromethyl)pyrazol-1-yl] benzenesulfonamide
CID 87555440
Dimethyl-celecoxib
CID 129651000
4-[5-[4-(4-Methylphenyl)phenyl]-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide
CID 10027108
4-[5-(4-Benzylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide
CID 10411792
4-[5-[4-(4-Butylphenyl)phenyl]-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide
CID 10413607
4-[5-[4-(3-Azidopropyl)phenyl]-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide
CID 10433887
4-[5-(4-methylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]-N-propylbenzenesulfonamide
CID 58833234

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-[5-(4-methylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide;4-[5-(4-ethylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide;methane;4-[5-(4-methylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide;propane?
The IUPAC name of N-ethyl-4-[5-(4-methylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide;4-[5-(4-ethylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide;methane;4-[5-(4-methylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide;propane (CID 161075964) is N-ethyl-4-[5-(4-methylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide;4-[5-(4-ethylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide;methane;4-[5-(4-methylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide;propane.
What is the SMILES notation for N-ethyl-4-[5-(4-methylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide;4-[5-(4-ethylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide;methane;4-[5-(4-methylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide;propane?
The canonical SMILES for N-ethyl-4-[5-(4-methylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide;4-[5-(4-ethylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide;methane;4-[5-(4-methylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide;propane is C.CCC.CCNS(=O)(=O)c1ccc(-n2nc(C(F)(F)F)cc2-c2ccc(C)cc2)cc1.CCc1ccc(-c2cc(C(F)(F)F)nn2-c2ccc(S(N)(=O)=O)cc2)cc1.Cc1ccc(-c2cc(C(F)(F)F)nn2-c2ccc(S(N)(=O)=O)cc2)cc1.
What is the InChIKey of N-ethyl-4-[5-(4-methylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide;4-[5-(4-ethylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide;methane;4-[5-(4-methylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide;propane?
The InChIKey is UFGVKVGEZQJCCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F3N3O2S.C18H16F3N3O2S.C17H14F3N3O2S.C3H8.CH4/c1-3-23-28(26,27)16-10-8-15(9-11-16)25-17(12-18(24-25)19(20,21)22)14-6-4-13(2)5-7-14;1-2-12-3-5-13(6-4-12)16-11-17(18(19,20)21)23-24(16)14-7-9-15(10-8-14)27(22,25)26;1-11-2-4-12(5-3-11)15-10-16(17(18,19)20)22-23(15)13-6-8-14(9-7-13)26(21,24)25;1-3-2;/h4-12,23H,3H2,1-2H3;3-11H,2H2,1H3,(H2,22,25,26);2-10H,1H3,(H2,21,24,25);3H2,1-2H3;1H4.
What are the key properties of N-ethyl-4-[5-(4-methylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide;4-[5-(4-ethylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide;methane;4-[5-(4-methylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide;propane?
N-ethyl-4-[5-(4-methylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide;4-[5-(4-ethylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide;methane;4-[5-(4-methylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide;propane has a molecular weight of 1246.36 g/mol, XLogP of 13.50, 12 rotatable bonds, 3 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-[5-(4-methylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide;4-[5-(4-ethylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide;methane;4-[5-(4-methylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide;propane is sourced from PubChem (CID 161075964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).