N-[3-(4-chloropyrazol-1-yl)-2-methylpropyl]-1-(difluoromethyl)-5-methylpyrazole-4-sulfonamide

C12H16ClF2N5O2S — CID 19614588

IUPACN-[3-(4-chloropyrazol-1-yl)-2-methylpropyl]-1-(difluoromethyl)-5-methylpyrazole-4-sulfonamide
SMILESCc1c(S(=O)(=O)NCC(C)Cn2cc(Cl)cn2)cnn1C(F)F
InChIInChI=1S/C12H16ClF2N5O2S/c1-8(6-19-7-10(13)4-16-19)3-18-23(21,22)11-5-17-20(9(11)2)12(14)15/h4-5,7-8,12,18H,3,6H2,1-2H3
InChIKeyWPYLETVXFZMQFO-UHFFFAOYSA-N
MW367.81 g/mol
LogP2.05
Rot. Bonds7

About N-[3-(4-chloropyrazol-1-yl)-2-methylpropyl]-1-(difluoromethyl)-5-methylpyrazole-4-sulfonamide

N-[3-(4-chloropyrazol-1-yl)-2-methylpropyl]-1-(difluoromethyl)-5-methylpyrazole-4-sulfonamide (PubChem CID 19614588) has the molecular formula C12H16ClF2N5O2S and a molecular weight of 367.81 g/mol. Its IUPAC name is N-[3-(4-chloropyrazol-1-yl)-2-methylpropyl]-1-(difluoromethyl)-5-methylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-[3-(4-chloropyrazol-1-yl)-2-methylpropyl]-1-(difluoromethyl)-5-methylpyrazole-4-sulfonamide
PubChem CID19614588
Molecular FormulaC12H16ClF2N5O2S
Molecular Weight367.81 g/mol
Exact Mass367.07
IUPAC NameN-[3-(4-chloropyrazol-1-yl)-2-methylpropyl]-1-(difluoromethyl)-5-methylpyrazole-4-sulfonamide
SMILESCc1c(S(=O)(=O)NCC(C)Cn2cc(Cl)cn2)cnn1C(F)F
InChIInChI=1S/C12H16ClF2N5O2S/c1-8(6-19-7-10(13)4-16-19)3-18-23(21,22)11-5-17-20(9(11)2)12(14)15/h4-5,7-8,12,18H,3,6H2,1-2H3
InChIKeyWPYLETVXFZMQFO-UHFFFAOYSA-N
XLogP2.05
TPSA81.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.81
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[3-(4-chloropyrazol-1-yl)-2-methylpropyl]-1-(difluoromethyl)-5-methylpyrazole-4-sulfonamide?
The IUPAC name of N-[3-(4-chloropyrazol-1-yl)-2-methylpropyl]-1-(difluoromethyl)-5-methylpyrazole-4-sulfonamide (CID 19614588) is N-[3-(4-chloropyrazol-1-yl)-2-methylpropyl]-1-(difluoromethyl)-5-methylpyrazole-4-sulfonamide.
What is the SMILES notation for N-[3-(4-chloropyrazol-1-yl)-2-methylpropyl]-1-(difluoromethyl)-5-methylpyrazole-4-sulfonamide?
The canonical SMILES for N-[3-(4-chloropyrazol-1-yl)-2-methylpropyl]-1-(difluoromethyl)-5-methylpyrazole-4-sulfonamide is Cc1c(S(=O)(=O)NCC(C)Cn2cc(Cl)cn2)cnn1C(F)F.
What is the InChIKey of N-[3-(4-chloropyrazol-1-yl)-2-methylpropyl]-1-(difluoromethyl)-5-methylpyrazole-4-sulfonamide?
The InChIKey is WPYLETVXFZMQFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClF2N5O2S/c1-8(6-19-7-10(13)4-16-19)3-18-23(21,22)11-5-17-20(9(11)2)12(14)15/h4-5,7-8,12,18H,3,6H2,1-2H3.
What are the key properties of N-[3-(4-chloropyrazol-1-yl)-2-methylpropyl]-1-(difluoromethyl)-5-methylpyrazole-4-sulfonamide?
N-[3-(4-chloropyrazol-1-yl)-2-methylpropyl]-1-(difluoromethyl)-5-methylpyrazole-4-sulfonamide has a molecular weight of 367.81 g/mol, XLogP of 2.05, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-chloropyrazol-1-yl)-2-methylpropyl]-1-(difluoromethyl)-5-methylpyrazole-4-sulfonamide is sourced from PubChem (CID 19614588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).