N-[(1-methyl-5-pyridin-2-ylpyrazol-3-yl)methyl]-3-(trifluoromethyl)benzenesulfonamide

C17H15F3N4O2S — CID 90555805

IUPACN-[(1-methyl-5-pyridin-2-ylpyrazol-3-yl)methyl]-3-(trifluoromethyl)benzenesulfonamide
SMILESCn1nc(CNS(=O)(=O)c2cccc(C(F)(F)F)c2)cc1-c1ccccn1
InChIInChI=1S/C17H15F3N4O2S/c1-24-16(15-7-2-3-8-21-15)10-13(23-24)11-22-27(25,26)14-6-4-5-12(9-14)17(18,19)20/h2-10,22H,11H2,1H3
InChIKeyMNNQUIAJZKJYRU-UHFFFAOYSA-N
MW396.39 g/mol
LogP2.98
Rot. Bonds5

About N-[(1-methyl-5-pyridin-2-ylpyrazol-3-yl)methyl]-3-(trifluoromethyl)benzenesulfonamide

N-[(1-methyl-5-pyridin-2-ylpyrazol-3-yl)methyl]-3-(trifluoromethyl)benzenesulfonamide (PubChem CID 90555805) has the molecular formula C17H15F3N4O2S and a molecular weight of 396.39 g/mol. Its IUPAC name is N-[(1-methyl-5-pyridin-2-ylpyrazol-3-yl)methyl]-3-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-[(1-methyl-5-pyridin-2-ylpyrazol-3-yl)methyl]-3-(trifluoromethyl)benzenesulfonamide
PubChem CID90555805
Molecular FormulaC17H15F3N4O2S
Molecular Weight396.39 g/mol
Exact Mass396.09
IUPAC NameN-[(1-methyl-5-pyridin-2-ylpyrazol-3-yl)methyl]-3-(trifluoromethyl)benzenesulfonamide
SMILESCn1nc(CNS(=O)(=O)c2cccc(C(F)(F)F)c2)cc1-c1ccccn1
InChIInChI=1S/C17H15F3N4O2S/c1-24-16(15-7-2-3-8-21-15)10-13(23-24)11-22-27(25,26)14-6-4-5-12(9-14)17(18,19)20/h2-10,22H,11H2,1H3
InChIKeyMNNQUIAJZKJYRU-UHFFFAOYSA-N
XLogP2.98
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.39
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1-methyl-5-pyridin-2-ylpyrazol-3-yl)methyl]pyridine-3-sulfonamide
CID 90555730
2,3,4,5,6-pentamethyl-N-[(1-methyl-5-pyridin-2-ylpyrazol-3-yl)methyl]benzenesulfonamide
CID 90555807
2-chloro-N-[(1-methyl-5-pyridin-2-ylpyrazol-3-yl)methyl]benzenesulfonamide
CID 90555758
4-fluoro-2-methyl-N-[(1-methyl-5-pyridin-2-ylpyrazol-3-yl)methyl]benzenesulfonamide
CID 90555753
5-bromo-N-[(1-methyl-5-pyridin-2-ylpyrazol-3-yl)methyl]thiophene-2-sulfonamide
CID 90555814
5-fluoro-2-methoxy-N-[(1-methyl-5-pyridin-2-ylpyrazol-3-yl)methyl]benzenesulfonamide
CID 90555780
N-[[5-(furan-2-yl)-1-methylpyrazol-3-yl]methyl]-4-(trifluoromethyl)benzenesulfonamide
CID 71797351
N-[[2-(dimethylamino)pyrimidin-4-yl]methyl]-3-(trifluoromethyl)benzenesulfonamide
CID 91967753
N-[(6-bromo-2-pyridinyl)methyl]-3-(trifluoromethyl)benzenesulfonamide
CID 145433996
N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]-3-(trifluoromethyl)benzenesulfonamide
CID 91967327
1-ethyl-3-[(1-methyl-5-pyridin-2-ylpyrazol-3-yl)methyl]urea
CID 90555819
N-[(1-methyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-3-(trifluoromethyl)benzamide
CID 90555037

Frequently Asked Questions

What is the IUPAC name of N-[(1-methyl-5-pyridin-2-ylpyrazol-3-yl)methyl]-3-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-[(1-methyl-5-pyridin-2-ylpyrazol-3-yl)methyl]-3-(trifluoromethyl)benzenesulfonamide (CID 90555805) is N-[(1-methyl-5-pyridin-2-ylpyrazol-3-yl)methyl]-3-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-[(1-methyl-5-pyridin-2-ylpyrazol-3-yl)methyl]-3-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-[(1-methyl-5-pyridin-2-ylpyrazol-3-yl)methyl]-3-(trifluoromethyl)benzenesulfonamide is Cn1nc(CNS(=O)(=O)c2cccc(C(F)(F)F)c2)cc1-c1ccccn1.
What is the InChIKey of N-[(1-methyl-5-pyridin-2-ylpyrazol-3-yl)methyl]-3-(trifluoromethyl)benzenesulfonamide?
The InChIKey is MNNQUIAJZKJYRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F3N4O2S/c1-24-16(15-7-2-3-8-21-15)10-13(23-24)11-22-27(25,26)14-6-4-5-12(9-14)17(18,19)20/h2-10,22H,11H2,1H3.
What are the key properties of N-[(1-methyl-5-pyridin-2-ylpyrazol-3-yl)methyl]-3-(trifluoromethyl)benzenesulfonamide?
N-[(1-methyl-5-pyridin-2-ylpyrazol-3-yl)methyl]-3-(trifluoromethyl)benzenesulfonamide has a molecular weight of 396.39 g/mol, XLogP of 2.98, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methyl-5-pyridin-2-ylpyrazol-3-yl)methyl]-3-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 90555805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).