N-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)butyl]-1-(difluoromethyl)-5-methylpyrazole-4-sulfonamide

C14H20ClF2N5O2S — CID 19614597

IUPACN-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)butyl]-1-(difluoromethyl)-5-methylpyrazole-4-sulfonamide
SMILESCc1nn(C(C)CCNS(=O)(=O)c2cnn(C(F)F)c2C)c(C)c1Cl
InChIInChI=1S/C14H20ClF2N5O2S/c1-8(21-11(4)13(15)9(2)20-21)5-6-19-25(23,24)12-7-18-22(10(12)3)14(16)17/h7-8,14,19H,5-6H2,1-4H3
InChIKeyKQOMLQGUBJYPIR-UHFFFAOYSA-N
MW395.86 g/mol
LogP2.98
Rot. Bonds7

About N-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)butyl]-1-(difluoromethyl)-5-methylpyrazole-4-sulfonamide

N-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)butyl]-1-(difluoromethyl)-5-methylpyrazole-4-sulfonamide (PubChem CID 19614597) has the molecular formula C14H20ClF2N5O2S and a molecular weight of 395.86 g/mol. Its IUPAC name is N-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)butyl]-1-(difluoromethyl)-5-methylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)butyl]-1-(difluoromethyl)-5-methylpyrazole-4-sulfonamide
PubChem CID19614597
Molecular FormulaC14H20ClF2N5O2S
Molecular Weight395.86 g/mol
Exact Mass395.10
IUPAC NameN-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)butyl]-1-(difluoromethyl)-5-methylpyrazole-4-sulfonamide
SMILESCc1nn(C(C)CCNS(=O)(=O)c2cnn(C(F)F)c2C)c(C)c1Cl
InChIInChI=1S/C14H20ClF2N5O2S/c1-8(21-11(4)13(15)9(2)20-21)5-6-19-25(23,24)12-7-18-22(10(12)3)14(16)17/h7-8,14,19H,5-6H2,1-4H3
InChIKeyKQOMLQGUBJYPIR-UHFFFAOYSA-N
XLogP2.98
TPSA81.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.86
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)butyl]-1-(difluoromethyl)-5-methylpyrazole-4-sulfonamide?
The IUPAC name of N-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)butyl]-1-(difluoromethyl)-5-methylpyrazole-4-sulfonamide (CID 19614597) is N-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)butyl]-1-(difluoromethyl)-5-methylpyrazole-4-sulfonamide.
What is the SMILES notation for N-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)butyl]-1-(difluoromethyl)-5-methylpyrazole-4-sulfonamide?
The canonical SMILES for N-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)butyl]-1-(difluoromethyl)-5-methylpyrazole-4-sulfonamide is Cc1nn(C(C)CCNS(=O)(=O)c2cnn(C(F)F)c2C)c(C)c1Cl.
What is the InChIKey of N-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)butyl]-1-(difluoromethyl)-5-methylpyrazole-4-sulfonamide?
The InChIKey is KQOMLQGUBJYPIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClF2N5O2S/c1-8(21-11(4)13(15)9(2)20-21)5-6-19-25(23,24)12-7-18-22(10(12)3)14(16)17/h7-8,14,19H,5-6H2,1-4H3.
What are the key properties of N-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)butyl]-1-(difluoromethyl)-5-methylpyrazole-4-sulfonamide?
N-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)butyl]-1-(difluoromethyl)-5-methylpyrazole-4-sulfonamide has a molecular weight of 395.86 g/mol, XLogP of 2.98, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)butyl]-1-(difluoromethyl)-5-methylpyrazole-4-sulfonamide is sourced from PubChem (CID 19614597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).