4-chloro-N-(2-methyl-3-pyrazol-1-ylpropyl)-2-(trifluoromethyl)benzenesulfonamide

C14H15ClF3N3O2S — CID 55735011

IUPAC4-chloro-N-(2-methyl-3-pyrazol-1-ylpropyl)-2-(trifluoromethyl)benzenesulfonamide
SMILESCC(CNS(=O)(=O)c1ccc(Cl)cc1C(F)(F)F)Cn1cccn1
InChIInChI=1S/C14H15ClF3N3O2S/c1-10(9-21-6-2-5-19-21)8-20-24(22,23)13-4-3-11(15)7-12(13)14(16,17)18/h2-7,10,20H,8-9H2,1H3
InChIKeyYWJNBGJWADBMFI-UHFFFAOYSA-N
MW381.81 g/mol
LogP3.17
Rot. Bonds6

About 4-chloro-N-(2-methyl-3-pyrazol-1-ylpropyl)-2-(trifluoromethyl)benzenesulfonamide

4-chloro-N-(2-methyl-3-pyrazol-1-ylpropyl)-2-(trifluoromethyl)benzenesulfonamide (PubChem CID 55735011) has the molecular formula C14H15ClF3N3O2S and a molecular weight of 381.81 g/mol. Its IUPAC name is 4-chloro-N-(2-methyl-3-pyrazol-1-ylpropyl)-2-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-(2-methyl-3-pyrazol-1-ylpropyl)-2-(trifluoromethyl)benzenesulfonamide
PubChem CID55735011
Molecular FormulaC14H15ClF3N3O2S
Molecular Weight381.81 g/mol
Exact Mass381.05
IUPAC Name4-chloro-N-(2-methyl-3-pyrazol-1-ylpropyl)-2-(trifluoromethyl)benzenesulfonamide
SMILESCC(CNS(=O)(=O)c1ccc(Cl)cc1C(F)(F)F)Cn1cccn1
InChIInChI=1S/C14H15ClF3N3O2S/c1-10(9-21-6-2-5-19-21)8-20-24(22,23)13-4-3-11(15)7-12(13)14(16,17)18/h2-7,10,20H,8-9H2,1H3
InChIKeyYWJNBGJWADBMFI-UHFFFAOYSA-N
XLogP3.17
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.81
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-N-(2-methyl-3-pyrazol-1-ylpropyl)-3-(trifluoromethyl)benzenesulfonamide
CID 55735133
4-bromo-2-chloro-N-(2-methyl-3-pyrazol-1-ylpropyl)benzenesulfonamide
CID 55735040
4-chloro-N-(4-hydroxy-2-methylbutyl)-2-(trifluoromethyl)benzenesulfonamide
CID 66109305
4-chloro-N-[(2R)-2-(ethylamino)propyl]-2-(trifluoromethyl)benzenesulfonamide;hydrochloride
CID 120664685
4-chloro-N-(2-methoxypropyl)-2-(trifluoromethyl)benzenesulfonamide
CID 102697538
4-fluoro-3-methoxy-N-[(2S)-2-methyl-3-pyrazol-1-ylpropyl]benzenesulfonamide
CID 99830947
(2S)-3-[[4-chloro-2-(trifluoromethyl)phenyl]sulfonylamino]-2-hydroxypropanoic acid
CID 104935898
2,4,6-trimethyl-N-(2-methyl-3-pyrazol-1-ylpropyl)benzenesulfonamide
CID 60539912
4-chloro-N-(3-methyl-2-morpholin-4-ylbutyl)-2-(trifluoromethyl)benzenesulfonamide
CID 42938556
5-methyl-N-(2-methyl-3-pyrazol-1-ylpropyl)thiophene-2-sulfonamide
CID 55735458
4-chloro-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-(trifluoromethyl)benzenesulfonamide
CID 60539732
4-chloro-N-(2-methylprop-2-enyl)-2-(trifluoromethyl)benzenesulfonamide
CID 114616396

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(2-methyl-3-pyrazol-1-ylpropyl)-2-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of 4-chloro-N-(2-methyl-3-pyrazol-1-ylpropyl)-2-(trifluoromethyl)benzenesulfonamide (CID 55735011) is 4-chloro-N-(2-methyl-3-pyrazol-1-ylpropyl)-2-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-(2-methyl-3-pyrazol-1-ylpropyl)-2-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for 4-chloro-N-(2-methyl-3-pyrazol-1-ylpropyl)-2-(trifluoromethyl)benzenesulfonamide is CC(CNS(=O)(=O)c1ccc(Cl)cc1C(F)(F)F)Cn1cccn1.
What is the InChIKey of 4-chloro-N-(2-methyl-3-pyrazol-1-ylpropyl)-2-(trifluoromethyl)benzenesulfonamide?
The InChIKey is YWJNBGJWADBMFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClF3N3O2S/c1-10(9-21-6-2-5-19-21)8-20-24(22,23)13-4-3-11(15)7-12(13)14(16,17)18/h2-7,10,20H,8-9H2,1H3.
What are the key properties of 4-chloro-N-(2-methyl-3-pyrazol-1-ylpropyl)-2-(trifluoromethyl)benzenesulfonamide?
4-chloro-N-(2-methyl-3-pyrazol-1-ylpropyl)-2-(trifluoromethyl)benzenesulfonamide has a molecular weight of 381.81 g/mol, XLogP of 3.17, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(2-methyl-3-pyrazol-1-ylpropyl)-2-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 55735011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).