N-methyl-3-(4-methylpyrazol-1-yl)-4-[[4-(trifluoromethyl)phenyl]methylamino]benzenesulfonamide

C19H19F3N4O2S — CID 163393297

IUPACN-methyl-3-(4-methylpyrazol-1-yl)-4-[[4-(trifluoromethyl)phenyl]methylamino]benzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(NCc2ccc(C(F)(F)F)cc2)c(-n2cc(C)cn2)c1
InChIInChI=1S/C19H19F3N4O2S/c1-13-10-25-26(12-13)18-9-16(29(27,28)23-2)7-8-17(18)24-11-14-3-5-15(6-4-14)19(20,21)22/h3-10,12,23-24H,11H2,1-2H3
InChIKeySRNFNLBRPZZJLZ-UHFFFAOYSA-N
MW424.45 g/mol
LogP3.72
Rot. Bonds6

About N-methyl-3-(4-methylpyrazol-1-yl)-4-[[4-(trifluoromethyl)phenyl]methylamino]benzenesulfonamide

N-methyl-3-(4-methylpyrazol-1-yl)-4-[[4-(trifluoromethyl)phenyl]methylamino]benzenesulfonamide (PubChem CID 163393297) has the molecular formula C19H19F3N4O2S and a molecular weight of 424.45 g/mol. Its IUPAC name is N-methyl-3-(4-methylpyrazol-1-yl)-4-[[4-(trifluoromethyl)phenyl]methylamino]benzenesulfonamide.

Molecular Properties

Compound NameN-methyl-3-(4-methylpyrazol-1-yl)-4-[[4-(trifluoromethyl)phenyl]methylamino]benzenesulfonamide
PubChem CID163393297
Molecular FormulaC19H19F3N4O2S
Molecular Weight424.45 g/mol
Exact Mass424.12
IUPAC NameN-methyl-3-(4-methylpyrazol-1-yl)-4-[[4-(trifluoromethyl)phenyl]methylamino]benzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(NCc2ccc(C(F)(F)F)cc2)c(-n2cc(C)cn2)c1
InChIInChI=1S/C19H19F3N4O2S/c1-13-10-25-26(12-13)18-9-16(29(27,28)23-2)7-8-17(18)24-11-14-3-5-15(6-4-14)19(20,21)22/h3-10,12,23-24H,11H2,1-2H3
InChIKeySRNFNLBRPZZJLZ-UHFFFAOYSA-N
XLogP3.72
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.45
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-3-(4-methylpyrazol-1-yl)-4-[[4-(trifluoromethyl)phenyl]methylamino]benzenesulfonamide?
The IUPAC name of N-methyl-3-(4-methylpyrazol-1-yl)-4-[[4-(trifluoromethyl)phenyl]methylamino]benzenesulfonamide (CID 163393297) is N-methyl-3-(4-methylpyrazol-1-yl)-4-[[4-(trifluoromethyl)phenyl]methylamino]benzenesulfonamide.
What is the SMILES notation for N-methyl-3-(4-methylpyrazol-1-yl)-4-[[4-(trifluoromethyl)phenyl]methylamino]benzenesulfonamide?
The canonical SMILES for N-methyl-3-(4-methylpyrazol-1-yl)-4-[[4-(trifluoromethyl)phenyl]methylamino]benzenesulfonamide is CNS(=O)(=O)c1ccc(NCc2ccc(C(F)(F)F)cc2)c(-n2cc(C)cn2)c1.
What is the InChIKey of N-methyl-3-(4-methylpyrazol-1-yl)-4-[[4-(trifluoromethyl)phenyl]methylamino]benzenesulfonamide?
The InChIKey is SRNFNLBRPZZJLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3N4O2S/c1-13-10-25-26(12-13)18-9-16(29(27,28)23-2)7-8-17(18)24-11-14-3-5-15(6-4-14)19(20,21)22/h3-10,12,23-24H,11H2,1-2H3.
What are the key properties of N-methyl-3-(4-methylpyrazol-1-yl)-4-[[4-(trifluoromethyl)phenyl]methylamino]benzenesulfonamide?
N-methyl-3-(4-methylpyrazol-1-yl)-4-[[4-(trifluoromethyl)phenyl]methylamino]benzenesulfonamide has a molecular weight of 424.45 g/mol, XLogP of 3.72, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-(4-methylpyrazol-1-yl)-4-[[4-(trifluoromethyl)phenyl]methylamino]benzenesulfonamide is sourced from PubChem (CID 163393297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).