4-[[1-(4-methoxyphenyl)pyrazol-3-yl]methylamino]-3-(trifluoromethyl)benzenesulfonamide

C18H17F3N4O3S — CID 133291403

IUPAC4-[[1-(4-methoxyphenyl)pyrazol-3-yl]methylamino]-3-(trifluoromethyl)benzenesulfonamide
SMILESCOc1ccc(-n2ccc(CNc3ccc(S(N)(=O)=O)cc3C(F)(F)F)n2)cc1
InChIInChI=1S/C18H17F3N4O3S/c1-28-14-4-2-13(3-5-14)25-9-8-12(24-25)11-23-17-7-6-15(29(22,26)27)10-16(17)18(19,20)21/h2-10,23H,11H2,1H3,(H2,22,26,27)
InChIKeyHGMJFWVJNHUJNE-UHFFFAOYSA-N
MW426.42 g/mol
LogP3.16
Rot. Bonds6

About 4-[[1-(4-methoxyphenyl)pyrazol-3-yl]methylamino]-3-(trifluoromethyl)benzenesulfonamide

4-[[1-(4-methoxyphenyl)pyrazol-3-yl]methylamino]-3-(trifluoromethyl)benzenesulfonamide (PubChem CID 133291403) has the molecular formula C18H17F3N4O3S and a molecular weight of 426.42 g/mol. Its IUPAC name is 4-[[1-(4-methoxyphenyl)pyrazol-3-yl]methylamino]-3-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-[[1-(4-methoxyphenyl)pyrazol-3-yl]methylamino]-3-(trifluoromethyl)benzenesulfonamide
PubChem CID133291403
Molecular FormulaC18H17F3N4O3S
Molecular Weight426.42 g/mol
Exact Mass426.10
IUPAC Name4-[[1-(4-methoxyphenyl)pyrazol-3-yl]methylamino]-3-(trifluoromethyl)benzenesulfonamide
SMILESCOc1ccc(-n2ccc(CNc3ccc(S(N)(=O)=O)cc3C(F)(F)F)n2)cc1
InChIInChI=1S/C18H17F3N4O3S/c1-28-14-4-2-13(3-5-14)25-9-8-12(24-25)11-23-17-7-6-15(29(22,26)27)10-16(17)18(19,20)21/h2-10,23H,11H2,1H3,(H2,22,26,27)
InChIKeyHGMJFWVJNHUJNE-UHFFFAOYSA-N
XLogP3.16
TPSA99.24 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.42
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-chloro-4-N-[[1-(4-methoxyphenyl)pyrazol-3-yl]methyl]pyrimidine-4,6-diamine
CID 122138740
1-tert-butyl-N-[[1-(4-methoxyphenyl)pyrazol-3-yl]methyl]-3,5-dimethylpyrazole-4-sulfonamide
CID 86937126
5-chloro-3-fluoro-N-[[1-(4-methoxyphenyl)pyrazol-3-yl]methyl]pyridin-2-amine
CID 139010286
3-[[1-(4-methoxyphenyl)pyrazol-3-yl]methylamino]pyrazine-2-carbonitrile
CID 133284092
4-[[2-hydroxy-2-(5-methylfuran-2-yl)propyl]amino]-3-(trifluoromethyl)benzenesulfonamide
CID 133353067
4-chloro-5-[[1-(4-methoxyphenyl)pyrazol-3-yl]methylamino]-2-phenylpyridazin-3-one
CID 133309689
(2R)-2-amino-N-[[1-(4-methoxyphenyl)pyrazol-3-yl]methyl]propanamide;hydrochloride
CID 119302651
N-[[1-(4-methoxyphenyl)pyrazol-3-yl]methyl]-3-methylquinoxalin-2-amine
CID 133309651
1-[[1-(4-methoxyphenyl)pyrazol-3-yl]methyl]-2-[[4-(trifluoromethoxy)phenyl]methyl]guanidine;hydroiodide
CID 111599317
4-methoxy-N-methyl-N-[(1-phenylpyrazol-3-yl)methyl]benzenesulfonamide
CID 60542205
1-[[1-(4-methoxyphenyl)pyrazol-3-yl]methyl]-2-methyl-3-[[4-(trifluoromethyl)phenyl]methyl]guanidine
CID 111420771
4-[5-(4-methoxyphenyl)-3-(2,2,2-trifluoroethoxy)-1,2,4-triazol-1-yl]benzenesulfonamide
CID 10251963

Frequently Asked Questions

What is the IUPAC name of 4-[[1-(4-methoxyphenyl)pyrazol-3-yl]methylamino]-3-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of 4-[[1-(4-methoxyphenyl)pyrazol-3-yl]methylamino]-3-(trifluoromethyl)benzenesulfonamide (CID 133291403) is 4-[[1-(4-methoxyphenyl)pyrazol-3-yl]methylamino]-3-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for 4-[[1-(4-methoxyphenyl)pyrazol-3-yl]methylamino]-3-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for 4-[[1-(4-methoxyphenyl)pyrazol-3-yl]methylamino]-3-(trifluoromethyl)benzenesulfonamide is COc1ccc(-n2ccc(CNc3ccc(S(N)(=O)=O)cc3C(F)(F)F)n2)cc1.
What is the InChIKey of 4-[[1-(4-methoxyphenyl)pyrazol-3-yl]methylamino]-3-(trifluoromethyl)benzenesulfonamide?
The InChIKey is HGMJFWVJNHUJNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F3N4O3S/c1-28-14-4-2-13(3-5-14)25-9-8-12(24-25)11-23-17-7-6-15(29(22,26)27)10-16(17)18(19,20)21/h2-10,23H,11H2,1H3,(H2,22,26,27).
What are the key properties of 4-[[1-(4-methoxyphenyl)pyrazol-3-yl]methylamino]-3-(trifluoromethyl)benzenesulfonamide?
4-[[1-(4-methoxyphenyl)pyrazol-3-yl]methylamino]-3-(trifluoromethyl)benzenesulfonamide has a molecular weight of 426.42 g/mol, XLogP of 3.16, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-(4-methoxyphenyl)pyrazol-3-yl]methylamino]-3-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 133291403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).