N-[4-chloro-1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-1-phenylmethanesulfonamide

C17H15ClFN3O2S — CID 39853499

IUPACN-[4-chloro-1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-1-phenylmethanesulfonamide
SMILESO=S(=O)(Cc1ccccc1)Nc1nn(Cc2ccccc2F)cc1Cl
InChIInChI=1S/C17H15ClFN3O2S/c18-15-11-22(10-14-8-4-5-9-16(14)19)20-17(15)21-25(23,24)12-13-6-2-1-3-7-13/h1-9,11H,10,12H2,(H,20,21)
InChIKeyJHQPNIBZPYUGEI-UHFFFAOYSA-N
MW379.84 g/mol
LogP3.67
Rot. Bonds6

About N-[4-chloro-1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-1-phenylmethanesulfonamide

N-[4-chloro-1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-1-phenylmethanesulfonamide (PubChem CID 39853499) has the molecular formula C17H15ClFN3O2S and a molecular weight of 379.84 g/mol. Its IUPAC name is N-[4-chloro-1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-1-phenylmethanesulfonamide.

Molecular Properties

Compound NameN-[4-chloro-1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-1-phenylmethanesulfonamide
PubChem CID39853499
Molecular FormulaC17H15ClFN3O2S
Molecular Weight379.84 g/mol
Exact Mass379.06
IUPAC NameN-[4-chloro-1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-1-phenylmethanesulfonamide
SMILESO=S(=O)(Cc1ccccc1)Nc1nn(Cc2ccccc2F)cc1Cl
InChIInChI=1S/C17H15ClFN3O2S/c18-15-11-22(10-14-8-4-5-9-16(14)19)20-17(15)21-25(23,24)12-13-6-2-1-3-7-13/h1-9,11H,10,12H2,(H,20,21)
InChIKeyJHQPNIBZPYUGEI-UHFFFAOYSA-N
XLogP3.67
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.84
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-chloro-1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-1-phenylmethanesulfonamide
CID 22207135
N-(1-benzyl-4-chloropyrazol-3-yl)-2,4-difluorobenzenesulfonamide
CID 22207182
N-[4-chloro-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]methanesulfonamide
CID 22206402
1-[4-chloro-1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-3-(2-chlorophenyl)urea
CID 39853155
N-[1-[(2-chlorophenyl)methyl]-1,2,4-triazol-3-yl]-1-phenylmethanesulfonamide
CID 22771869
N-[(2-fluorophenyl)methyl]-1-phenylmethanesulfonamide
CID 7034179
N-[4-chloro-1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]-2-phenylacetamide
CID 19396536
4-chloro-1-[(2-fluorophenyl)methyl]-3-nitropyrazole
CID 7017487
N-[4-chloro-1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-1-(phenoxymethyl)pyrazole-3-carboxamide
CID 19271258
N-[4-chloro-1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-3,4-dimethylbenzamide
CID 19409434
N-[4-chloro-1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-2-(3-methylpyrazol-1-yl)acetamide
CID 19517020
N-[4-chloro-1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-3-(4-chloro-3-methylpyrazol-1-yl)propanamide
CID 19544172

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-1-phenylmethanesulfonamide?
The IUPAC name of N-[4-chloro-1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-1-phenylmethanesulfonamide (CID 39853499) is N-[4-chloro-1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-1-phenylmethanesulfonamide.
What is the SMILES notation for N-[4-chloro-1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-1-phenylmethanesulfonamide?
The canonical SMILES for N-[4-chloro-1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-1-phenylmethanesulfonamide is O=S(=O)(Cc1ccccc1)Nc1nn(Cc2ccccc2F)cc1Cl.
What is the InChIKey of N-[4-chloro-1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-1-phenylmethanesulfonamide?
The InChIKey is JHQPNIBZPYUGEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClFN3O2S/c18-15-11-22(10-14-8-4-5-9-16(14)19)20-17(15)21-25(23,24)12-13-6-2-1-3-7-13/h1-9,11H,10,12H2,(H,20,21).
What are the key properties of N-[4-chloro-1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-1-phenylmethanesulfonamide?
N-[4-chloro-1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-1-phenylmethanesulfonamide has a molecular weight of 379.84 g/mol, XLogP of 3.67, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-1-phenylmethanesulfonamide is sourced from PubChem (CID 39853499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).