N-ethyl-N-[(1-methylpyrazol-4-yl)methyl]-2-(trifluoromethoxy)benzenesulfonamide

C14H16F3N3O3S — CID 47812981

IUPACN-ethyl-N-[(1-methylpyrazol-4-yl)methyl]-2-(trifluoromethoxy)benzenesulfonamide
SMILESCCN(Cc1cnn(C)c1)S(=O)(=O)c1ccccc1OC(F)(F)F
InChIInChI=1S/C14H16F3N3O3S/c1-3-20(10-11-8-18-19(2)9-11)24(21,22)13-7-5-4-6-12(13)23-14(15,16)17/h4-9H,3,10H2,1-2H3
InChIKeyHVZWXVUGNBRDBM-UHFFFAOYSA-N
MW363.36 g/mol
LogP2.53
Rot. Bonds6

About N-ethyl-N-[(1-methylpyrazol-4-yl)methyl]-2-(trifluoromethoxy)benzenesulfonamide

N-ethyl-N-[(1-methylpyrazol-4-yl)methyl]-2-(trifluoromethoxy)benzenesulfonamide (PubChem CID 47812981) has the molecular formula C14H16F3N3O3S and a molecular weight of 363.36 g/mol. Its IUPAC name is N-ethyl-N-[(1-methylpyrazol-4-yl)methyl]-2-(trifluoromethoxy)benzenesulfonamide.

Molecular Properties

Compound NameN-ethyl-N-[(1-methylpyrazol-4-yl)methyl]-2-(trifluoromethoxy)benzenesulfonamide
PubChem CID47812981
Molecular FormulaC14H16F3N3O3S
Molecular Weight363.36 g/mol
Exact Mass363.09
IUPAC NameN-ethyl-N-[(1-methylpyrazol-4-yl)methyl]-2-(trifluoromethoxy)benzenesulfonamide
SMILESCCN(Cc1cnn(C)c1)S(=O)(=O)c1ccccc1OC(F)(F)F
InChIInChI=1S/C14H16F3N3O3S/c1-3-20(10-11-8-18-19(2)9-11)24(21,22)13-7-5-4-6-12(13)23-14(15,16)17/h4-9H,3,10H2,1-2H3
InChIKeyHVZWXVUGNBRDBM-UHFFFAOYSA-N
XLogP2.53
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.36
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(E)-(1-ethyl-3-methylpyrazol-4-yl)methylideneamino]-4-methoxybenzenesulfonamide
CID 7765645
1-ethyl-N-(4-methoxybenzyl)-1H-pyrazole-4-sulfonamide
CID 6470938
4-ethoxy-N-[(1-ethylpyrazol-4-yl)methyl]-N-methylbenzenesulfonamide
CID 4089498
N-({1-[(1-ethyl-1H-pyrazol-4-yl)methyl]-3-piperidinyl}methyl)-4-methoxybenzenesulfonamide
CID 24793239
N,1-dimethyl-N-[2-(4-methylphenoxy)ethyl]pyrazole-4-sulfonamide
CID 45822307
N-[2-(4-fluorophenoxy)ethyl]-N,1-dimethylpyrazole-4-sulfonamide
CID 45822310
N,1-dimethyl-N-(3-phenoxypropyl)pyrazole-4-sulfonamide
CID 45822470
N-[3-(4-fluorophenoxy)propyl]-N,1-dimethylpyrazole-4-sulfonamide
CID 45825514
4-((1H-pyrazol-1-yl)methyl)-1-((4-(trifluoromethoxy)phenyl)sulfonyl)piperidine
CID 71781201
1-(2-(1H-pyrazol-1-yl)ethyl)-4-((4-(trifluoromethoxy)phenyl)sulfonyl)piperazine
CID 71783851
N-(1-(tetrahydro-2H-pyran-4-yl)-1H-pyrazol-4-yl)-2-(trifluoromethoxy)benzenesulfonamide
CID 71810318
1-(2-(1H-pyrazol-1-yl)ethyl)-4-((2-ethoxyphenyl)sulfonyl)piperazine
CID 71783852

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[(1-methylpyrazol-4-yl)methyl]-2-(trifluoromethoxy)benzenesulfonamide?
The IUPAC name of N-ethyl-N-[(1-methylpyrazol-4-yl)methyl]-2-(trifluoromethoxy)benzenesulfonamide (CID 47812981) is N-ethyl-N-[(1-methylpyrazol-4-yl)methyl]-2-(trifluoromethoxy)benzenesulfonamide.
What is the SMILES notation for N-ethyl-N-[(1-methylpyrazol-4-yl)methyl]-2-(trifluoromethoxy)benzenesulfonamide?
The canonical SMILES for N-ethyl-N-[(1-methylpyrazol-4-yl)methyl]-2-(trifluoromethoxy)benzenesulfonamide is CCN(Cc1cnn(C)c1)S(=O)(=O)c1ccccc1OC(F)(F)F.
What is the InChIKey of N-ethyl-N-[(1-methylpyrazol-4-yl)methyl]-2-(trifluoromethoxy)benzenesulfonamide?
The InChIKey is HVZWXVUGNBRDBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3N3O3S/c1-3-20(10-11-8-18-19(2)9-11)24(21,22)13-7-5-4-6-12(13)23-14(15,16)17/h4-9H,3,10H2,1-2H3.
What are the key properties of N-ethyl-N-[(1-methylpyrazol-4-yl)methyl]-2-(trifluoromethoxy)benzenesulfonamide?
N-ethyl-N-[(1-methylpyrazol-4-yl)methyl]-2-(trifluoromethoxy)benzenesulfonamide has a molecular weight of 363.36 g/mol, XLogP of 2.53, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[(1-methylpyrazol-4-yl)methyl]-2-(trifluoromethoxy)benzenesulfonamide is sourced from PubChem (CID 47812981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).