N-[2-(benzenesulfonamido)ethyl]-4-methyl-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide

C14H15F3N4O3S — CID 166376567

IUPACN-[2-(benzenesulfonamido)ethyl]-4-methyl-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide
SMILESCc1c(C(=O)NCCNS(=O)(=O)c2ccccc2)n[nH]c1C(F)(F)F
InChIInChI=1S/C14H15F3N4O3S/c1-9-11(20-21-12(9)14(15,16)17)13(22)18-7-8-19-25(23,24)10-5-3-2-4-6-10/h2-6,19H,7-8H2,1H3,(H,18,22)(H,20,21)
InChIKeyQPNOODVWFVYWIG-UHFFFAOYSA-N
MW376.36 g/mol
LogP1.45
Rot. Bonds6

About N-[2-(benzenesulfonamido)ethyl]-4-methyl-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide

N-[2-(benzenesulfonamido)ethyl]-4-methyl-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide (PubChem CID 166376567) has the molecular formula C14H15F3N4O3S and a molecular weight of 376.36 g/mol. Its IUPAC name is N-[2-(benzenesulfonamido)ethyl]-4-methyl-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[2-(benzenesulfonamido)ethyl]-4-methyl-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide
PubChem CID166376567
Molecular FormulaC14H15F3N4O3S
Molecular Weight376.36 g/mol
Exact Mass376.08
IUPAC NameN-[2-(benzenesulfonamido)ethyl]-4-methyl-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide
SMILESCc1c(C(=O)NCCNS(=O)(=O)c2ccccc2)n[nH]c1C(F)(F)F
InChIInChI=1S/C14H15F3N4O3S/c1-9-11(20-21-12(9)14(15,16)17)13(22)18-7-8-19-25(23,24)10-5-3-2-4-6-10/h2-6,19H,7-8H2,1H3,(H,18,22)(H,20,21)
InChIKeyQPNOODVWFVYWIG-UHFFFAOYSA-N
XLogP1.45
TPSA103.95 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.36
LogP ≤ 51.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(benzenesulfonamido)ethyl]-1-(4-fluorophenyl)-5-methyltriazole-4-carboxamide
CID 78856391
2-[2-(benzenesulfonamido)ethylcarbamoyl]benzoic acid
CID 113083408
benzyl 4-methyl-5-(trifluoromethyl)-1H-pyrazole-3-carboxylate
CID 139043468
N-[2-(benzenesulfonamido)ethyl]-2,3-dimethyl-1H-indole-7-carboxamide
CID 78852520
5-(benzenesulfonamido)-N-propyl-2H-triazole-4-carboxamide
CID 2718265
(2R)-2-amino-N-[2-(benzenesulfonamido)ethyl]propanamide
CID 119279110
N-[2-(benzenesulfonamido)ethyl]-3,5-dimethoxybenzamide
CID 108571361
N-[2-(benzenesulfonamido)ethyl]-4-methylsulfonylbenzenesulfonamide
CID 166199176
N-[2-[(4-ethoxyphenyl)sulfonylamino]ethyl]-2-(trifluoromethyl)benzamide
CID 108573645
4,5-dimethyl-N-(2-phenylethyl)-1H-pyrazole-3-carboxamide
CID 110852276
N-[2-(benzenesulfonamido)ethyl]-2-fluoro-4-methoxybenzamide
CID 86922045
3-(2-benzamidoethylsulfamoyl)benzenesulfonyl fluoride
CID 166407089

Frequently Asked Questions

What is the IUPAC name of N-[2-(benzenesulfonamido)ethyl]-4-methyl-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide?
The IUPAC name of N-[2-(benzenesulfonamido)ethyl]-4-methyl-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide (CID 166376567) is N-[2-(benzenesulfonamido)ethyl]-4-methyl-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-[2-(benzenesulfonamido)ethyl]-4-methyl-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-[2-(benzenesulfonamido)ethyl]-4-methyl-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide is Cc1c(C(=O)NCCNS(=O)(=O)c2ccccc2)n[nH]c1C(F)(F)F.
What is the InChIKey of N-[2-(benzenesulfonamido)ethyl]-4-methyl-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide?
The InChIKey is QPNOODVWFVYWIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3N4O3S/c1-9-11(20-21-12(9)14(15,16)17)13(22)18-7-8-19-25(23,24)10-5-3-2-4-6-10/h2-6,19H,7-8H2,1H3,(H,18,22)(H,20,21).
What are the key properties of N-[2-(benzenesulfonamido)ethyl]-4-methyl-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide?
N-[2-(benzenesulfonamido)ethyl]-4-methyl-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide has a molecular weight of 376.36 g/mol, XLogP of 1.45, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(benzenesulfonamido)ethyl]-4-methyl-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 166376567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).