1-ethyl-N-[2-(4-fluorophenyl)ethyl]-N-[(2-methylpyrazol-3-yl)methyl]pyrazole-4-sulfonamide

C18H22FN5O2S — CID 29089968

IUPAC1-ethyl-N-[2-(4-fluorophenyl)ethyl]-N-[(2-methylpyrazol-3-yl)methyl]pyrazole-4-sulfonamide
SMILESCCn1cc(S(=O)(=O)N(CCc2ccc(F)cc2)Cc2ccnn2C)cn1
InChIInChI=1S/C18H22FN5O2S/c1-3-23-14-18(12-21-23)27(25,26)24(13-17-8-10-20-22(17)2)11-9-15-4-6-16(19)7-5-15/h4-8,10,12,14H,3,9,11,13H2,1-2H3
InChIKeyIWMCANGFXCXHGG-UHFFFAOYSA-N
MW391.47 g/mol
LogP2.21
Rot. Bonds8

About 1-ethyl-N-[2-(4-fluorophenyl)ethyl]-N-[(2-methylpyrazol-3-yl)methyl]pyrazole-4-sulfonamide

1-ethyl-N-[2-(4-fluorophenyl)ethyl]-N-[(2-methylpyrazol-3-yl)methyl]pyrazole-4-sulfonamide (PubChem CID 29089968) has the molecular formula C18H22FN5O2S and a molecular weight of 391.47 g/mol. Its IUPAC name is 1-ethyl-N-[2-(4-fluorophenyl)ethyl]-N-[(2-methylpyrazol-3-yl)methyl]pyrazole-4-sulfonamide.

Molecular Properties

Compound Name1-ethyl-N-[2-(4-fluorophenyl)ethyl]-N-[(2-methylpyrazol-3-yl)methyl]pyrazole-4-sulfonamide
PubChem CID29089968
Molecular FormulaC18H22FN5O2S
Molecular Weight391.47 g/mol
Exact Mass391.15
IUPAC Name1-ethyl-N-[2-(4-fluorophenyl)ethyl]-N-[(2-methylpyrazol-3-yl)methyl]pyrazole-4-sulfonamide
SMILESCCn1cc(S(=O)(=O)N(CCc2ccc(F)cc2)Cc2ccnn2C)cn1
InChIInChI=1S/C18H22FN5O2S/c1-3-23-14-18(12-21-23)27(25,26)24(13-17-8-10-20-22(17)2)11-9-15-4-6-16(19)7-5-15/h4-8,10,12,14H,3,9,11,13H2,1-2H3
InChIKeyIWMCANGFXCXHGG-UHFFFAOYSA-N
XLogP2.21
TPSA73.02 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.47
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-[2-(4-fluorophenyl)ethyl]-N-[(2-methylpyrazol-3-yl)methyl]pyrazole-4-sulfonamide?
The IUPAC name of 1-ethyl-N-[2-(4-fluorophenyl)ethyl]-N-[(2-methylpyrazol-3-yl)methyl]pyrazole-4-sulfonamide (CID 29089968) is 1-ethyl-N-[2-(4-fluorophenyl)ethyl]-N-[(2-methylpyrazol-3-yl)methyl]pyrazole-4-sulfonamide.
What is the SMILES notation for 1-ethyl-N-[2-(4-fluorophenyl)ethyl]-N-[(2-methylpyrazol-3-yl)methyl]pyrazole-4-sulfonamide?
The canonical SMILES for 1-ethyl-N-[2-(4-fluorophenyl)ethyl]-N-[(2-methylpyrazol-3-yl)methyl]pyrazole-4-sulfonamide is CCn1cc(S(=O)(=O)N(CCc2ccc(F)cc2)Cc2ccnn2C)cn1.
What is the InChIKey of 1-ethyl-N-[2-(4-fluorophenyl)ethyl]-N-[(2-methylpyrazol-3-yl)methyl]pyrazole-4-sulfonamide?
The InChIKey is IWMCANGFXCXHGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FN5O2S/c1-3-23-14-18(12-21-23)27(25,26)24(13-17-8-10-20-22(17)2)11-9-15-4-6-16(19)7-5-15/h4-8,10,12,14H,3,9,11,13H2,1-2H3.
What are the key properties of 1-ethyl-N-[2-(4-fluorophenyl)ethyl]-N-[(2-methylpyrazol-3-yl)methyl]pyrazole-4-sulfonamide?
1-ethyl-N-[2-(4-fluorophenyl)ethyl]-N-[(2-methylpyrazol-3-yl)methyl]pyrazole-4-sulfonamide has a molecular weight of 391.47 g/mol, XLogP of 2.21, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-[2-(4-fluorophenyl)ethyl]-N-[(2-methylpyrazol-3-yl)methyl]pyrazole-4-sulfonamide is sourced from PubChem (CID 29089968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).