5-chloro-N-[2-(4-chlorophenyl)-2,2-difluoroethyl]-1-methylpyrazole-4-sulfonamide

C12H11Cl2F2N3O2S — CID 167767963

IUPAC5-chloro-N-[2-(4-chlorophenyl)-2,2-difluoroethyl]-1-methylpyrazole-4-sulfonamide
SMILESCn1ncc(S(=O)(=O)NCC(F)(F)c2ccc(Cl)cc2)c1Cl
InChIInChI=1S/C12H11Cl2F2N3O2S/c1-19-11(14)10(6-17-19)22(20,21)18-7-12(15,16)8-2-4-9(13)5-3-8/h2-6,18H,7H2,1H3
InChIKeyWRHMDPRSISQVOK-UHFFFAOYSA-N
MW370.21 g/mol
LogP2.80
Rot. Bonds5

About 5-chloro-N-[2-(4-chlorophenyl)-2,2-difluoroethyl]-1-methylpyrazole-4-sulfonamide

5-chloro-N-[2-(4-chlorophenyl)-2,2-difluoroethyl]-1-methylpyrazole-4-sulfonamide (PubChem CID 167767963) has the molecular formula C12H11Cl2F2N3O2S and a molecular weight of 370.21 g/mol. Its IUPAC name is 5-chloro-N-[2-(4-chlorophenyl)-2,2-difluoroethyl]-1-methylpyrazole-4-sulfonamide.

Molecular Properties

Compound Name5-chloro-N-[2-(4-chlorophenyl)-2,2-difluoroethyl]-1-methylpyrazole-4-sulfonamide
PubChem CID167767963
Molecular FormulaC12H11Cl2F2N3O2S
Molecular Weight370.21 g/mol
Exact Mass368.99
IUPAC Name5-chloro-N-[2-(4-chlorophenyl)-2,2-difluoroethyl]-1-methylpyrazole-4-sulfonamide
SMILESCn1ncc(S(=O)(=O)NCC(F)(F)c2ccc(Cl)cc2)c1Cl
InChIInChI=1S/C12H11Cl2F2N3O2S/c1-19-11(14)10(6-17-19)22(20,21)18-7-12(15,16)8-2-4-9(13)5-3-8/h2-6,18H,7H2,1H3
InChIKeyWRHMDPRSISQVOK-UHFFFAOYSA-N
XLogP2.80
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.21
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-chlorophenyl)methyl]-1,5-dimethylpyrazole-4-sulfonamide
CID 19680642
4-[[2-(3-chlorophenyl)-3,3,3-trifluoro-2-hydroxypropyl]sulfamoyl]-1-methylpyrazole-5-carboxylic acid
CID 166396117
N-(2-amino-2-methylpropyl)-2-chloro-5-(trifluoromethyl)benzenesulfonamide;hydrochloride
CID 119988016
1,5-dimethyl-N-[[2-(trifluoromethyl)phenyl]methyl]pyrazole-4-sulfonamide
CID 35764474
N-(2-amino-2-methylpropyl)-4-chlorobenzenesulfonamide;hydrochloride
CID 119988011
1,5-dimethyl-N-[(2S)-2-methyl-3-[3-(trifluoromethyl)pyrazol-1-yl]propyl]pyrazole-4-sulfonamide
CID 51853487
N-[2-(4-chlorophenyl)-2,2-difluoroethyl]-1-methyl-5,6-dihydro-4H-pyrimidin-2-amine
CID 122096075
N-[2-(3,4-dichlorophenyl)-2,2-difluoroethyl]ethanesulfonamide
CID 166376489
N-[2-(4-chlorophenyl)ethyl]-1-ethyl-5-methylpyrazole-4-sulfonamide
CID 19680760
4-chloro-N-(3-hydroxy-2,2-dimethylpropyl)-1-methylpyrazole-5-sulfonamide
CID 114150470
5-chloro-N-[2-[[dimethyl(oxo)-λ6-sulfanylidene]amino]phenyl]-1-methylpyrazole-4-sulfonamide
CID 167763933
N-(5-chloro-2-methylphenyl)-1,5-dimethylpyrazole-4-sulfonamide
CID 22775093

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[2-(4-chlorophenyl)-2,2-difluoroethyl]-1-methylpyrazole-4-sulfonamide?
The IUPAC name of 5-chloro-N-[2-(4-chlorophenyl)-2,2-difluoroethyl]-1-methylpyrazole-4-sulfonamide (CID 167767963) is 5-chloro-N-[2-(4-chlorophenyl)-2,2-difluoroethyl]-1-methylpyrazole-4-sulfonamide.
What is the SMILES notation for 5-chloro-N-[2-(4-chlorophenyl)-2,2-difluoroethyl]-1-methylpyrazole-4-sulfonamide?
The canonical SMILES for 5-chloro-N-[2-(4-chlorophenyl)-2,2-difluoroethyl]-1-methylpyrazole-4-sulfonamide is Cn1ncc(S(=O)(=O)NCC(F)(F)c2ccc(Cl)cc2)c1Cl.
What is the InChIKey of 5-chloro-N-[2-(4-chlorophenyl)-2,2-difluoroethyl]-1-methylpyrazole-4-sulfonamide?
The InChIKey is WRHMDPRSISQVOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11Cl2F2N3O2S/c1-19-11(14)10(6-17-19)22(20,21)18-7-12(15,16)8-2-4-9(13)5-3-8/h2-6,18H,7H2,1H3.
What are the key properties of 5-chloro-N-[2-(4-chlorophenyl)-2,2-difluoroethyl]-1-methylpyrazole-4-sulfonamide?
5-chloro-N-[2-(4-chlorophenyl)-2,2-difluoroethyl]-1-methylpyrazole-4-sulfonamide has a molecular weight of 370.21 g/mol, XLogP of 2.80, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[2-(4-chlorophenyl)-2,2-difluoroethyl]-1-methylpyrazole-4-sulfonamide is sourced from PubChem (CID 167767963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).