N-[[5-chloro-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]-4-methoxy-N-(4-methoxyphenyl)benzenesulfonamide

C20H19ClF3N3O4S — CID 1489338

IUPACN-[[5-chloro-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]-4-methoxy-N-(4-methoxyphenyl)benzenesulfonamide
SMILESCOc1ccc(N(Cc2c(C(F)(F)F)nn(C)c2Cl)S(=O)(=O)c2ccc(OC)cc2)cc1
InChIInChI=1S/C20H19ClF3N3O4S/c1-26-19(21)17(18(25-26)20(22,23)24)12-27(13-4-6-14(30-2)7-5-13)32(28,29)16-10-8-15(31-3)9-11-16/h4-11H,12H2,1-3H3
InChIKeyDLNPNBZWTULIDO-UHFFFAOYSA-N
MW489.90 g/mol
LogP4.51
Rot. Bonds7

About N-[[5-chloro-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]-4-methoxy-N-(4-methoxyphenyl)benzenesulfonamide

N-[[5-chloro-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]-4-methoxy-N-(4-methoxyphenyl)benzenesulfonamide (PubChem CID 1489338) has the molecular formula C20H19ClF3N3O4S and a molecular weight of 489.90 g/mol. Its IUPAC name is N-[[5-chloro-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]-4-methoxy-N-(4-methoxyphenyl)benzenesulfonamide.

Molecular Properties

Compound NameN-[[5-chloro-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]-4-methoxy-N-(4-methoxyphenyl)benzenesulfonamide
PubChem CID1489338
Molecular FormulaC20H19ClF3N3O4S
Molecular Weight489.90 g/mol
Exact Mass489.07
IUPAC NameN-[[5-chloro-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]-4-methoxy-N-(4-methoxyphenyl)benzenesulfonamide
SMILESCOc1ccc(N(Cc2c(C(F)(F)F)nn(C)c2Cl)S(=O)(=O)c2ccc(OC)cc2)cc1
InChIInChI=1S/C20H19ClF3N3O4S/c1-26-19(21)17(18(25-26)20(22,23)24)12-27(13-4-6-14(30-2)7-5-13)32(28,29)16-10-8-15(31-3)9-11-16/h4-11H,12H2,1-3H3
InChIKeyDLNPNBZWTULIDO-UHFFFAOYSA-N
XLogP4.51
TPSA73.66 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.90
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[5-chloro-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]-4-methoxy-N-(4-methoxyphenyl)benzenesulfonamide?
The IUPAC name of N-[[5-chloro-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]-4-methoxy-N-(4-methoxyphenyl)benzenesulfonamide (CID 1489338) is N-[[5-chloro-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]-4-methoxy-N-(4-methoxyphenyl)benzenesulfonamide.
What is the SMILES notation for N-[[5-chloro-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]-4-methoxy-N-(4-methoxyphenyl)benzenesulfonamide?
The canonical SMILES for N-[[5-chloro-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]-4-methoxy-N-(4-methoxyphenyl)benzenesulfonamide is COc1ccc(N(Cc2c(C(F)(F)F)nn(C)c2Cl)S(=O)(=O)c2ccc(OC)cc2)cc1.
What is the InChIKey of N-[[5-chloro-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]-4-methoxy-N-(4-methoxyphenyl)benzenesulfonamide?
The InChIKey is DLNPNBZWTULIDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClF3N3O4S/c1-26-19(21)17(18(25-26)20(22,23)24)12-27(13-4-6-14(30-2)7-5-13)32(28,29)16-10-8-15(31-3)9-11-16/h4-11H,12H2,1-3H3.
What are the key properties of N-[[5-chloro-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]-4-methoxy-N-(4-methoxyphenyl)benzenesulfonamide?
N-[[5-chloro-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]-4-methoxy-N-(4-methoxyphenyl)benzenesulfonamide has a molecular weight of 489.90 g/mol, XLogP of 4.51, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-chloro-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]-4-methoxy-N-(4-methoxyphenyl)benzenesulfonamide is sourced from PubChem (CID 1489338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).