N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-1-(difluoromethyl)-N,3-dimethylpyrazole-4-sulfonamide

C12H16ClF2N5O2S — CID 19614773

IUPACN-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-1-(difluoromethyl)-N,3-dimethylpyrazole-4-sulfonamide
SMILESCCn1ncc(Cl)c1CN(C)S(=O)(=O)c1cn(C(F)F)nc1C
InChIInChI=1S/C12H16ClF2N5O2S/c1-4-19-10(9(13)5-16-19)6-18(3)23(21,22)11-7-20(12(14)15)17-8(11)2/h5,7,12H,4,6H2,1-3H3
InChIKeyPUCNVPKNFXPIRR-UHFFFAOYSA-N
MW367.81 g/mol
LogP2.28
Rot. Bonds6

About N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-1-(difluoromethyl)-N,3-dimethylpyrazole-4-sulfonamide

N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-1-(difluoromethyl)-N,3-dimethylpyrazole-4-sulfonamide (PubChem CID 19614773) has the molecular formula C12H16ClF2N5O2S and a molecular weight of 367.81 g/mol. Its IUPAC name is N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-1-(difluoromethyl)-N,3-dimethylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-1-(difluoromethyl)-N,3-dimethylpyrazole-4-sulfonamide
PubChem CID19614773
Molecular FormulaC12H16ClF2N5O2S
Molecular Weight367.81 g/mol
Exact Mass367.07
IUPAC NameN-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-1-(difluoromethyl)-N,3-dimethylpyrazole-4-sulfonamide
SMILESCCn1ncc(Cl)c1CN(C)S(=O)(=O)c1cn(C(F)F)nc1C
InChIInChI=1S/C12H16ClF2N5O2S/c1-4-19-10(9(13)5-16-19)6-18(3)23(21,22)11-7-20(12(14)15)17-8(11)2/h5,7,12H,4,6H2,1-3H3
InChIKeyPUCNVPKNFXPIRR-UHFFFAOYSA-N
XLogP2.28
TPSA73.02 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.81
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-1-(difluoromethyl)-N,3-dimethylpyrazole-4-sulfonamide?
The IUPAC name of N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-1-(difluoromethyl)-N,3-dimethylpyrazole-4-sulfonamide (CID 19614773) is N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-1-(difluoromethyl)-N,3-dimethylpyrazole-4-sulfonamide.
What is the SMILES notation for N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-1-(difluoromethyl)-N,3-dimethylpyrazole-4-sulfonamide?
The canonical SMILES for N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-1-(difluoromethyl)-N,3-dimethylpyrazole-4-sulfonamide is CCn1ncc(Cl)c1CN(C)S(=O)(=O)c1cn(C(F)F)nc1C.
What is the InChIKey of N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-1-(difluoromethyl)-N,3-dimethylpyrazole-4-sulfonamide?
The InChIKey is PUCNVPKNFXPIRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClF2N5O2S/c1-4-19-10(9(13)5-16-19)6-18(3)23(21,22)11-7-20(12(14)15)17-8(11)2/h5,7,12H,4,6H2,1-3H3.
What are the key properties of N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-1-(difluoromethyl)-N,3-dimethylpyrazole-4-sulfonamide?
N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-1-(difluoromethyl)-N,3-dimethylpyrazole-4-sulfonamide has a molecular weight of 367.81 g/mol, XLogP of 2.28, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-1-(difluoromethyl)-N,3-dimethylpyrazole-4-sulfonamide is sourced from PubChem (CID 19614773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).