N-[2-(cyclopropylmethoxy)-5-fluorophenyl]-1H-pyrazole-4-sulfonamide

C13H14FN3O3S — CID 126793474

IUPACN-[2-(cyclopropylmethoxy)-5-fluorophenyl]-1H-pyrazole-4-sulfonamide
SMILESO=S(=O)(Nc1cc(F)ccc1OCC1CC1)c1cn[nH]c1
InChIInChI=1S/C13H14FN3O3S/c14-10-3-4-13(20-8-9-1-2-9)12(5-10)17-21(18,19)11-6-15-16-7-11/h3-7,9,17H,1-2,8H2,(H,15,16)
InChIKeyBDMNJXNVSSEGAN-UHFFFAOYSA-N
MW311.34 g/mol
LogP2.14
Rot. Bonds6

About N-[2-(cyclopropylmethoxy)-5-fluorophenyl]-1H-pyrazole-4-sulfonamide

N-[2-(cyclopropylmethoxy)-5-fluorophenyl]-1H-pyrazole-4-sulfonamide (PubChem CID 126793474) has the molecular formula C13H14FN3O3S and a molecular weight of 311.34 g/mol. Its IUPAC name is N-[2-(cyclopropylmethoxy)-5-fluorophenyl]-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-[2-(cyclopropylmethoxy)-5-fluorophenyl]-1H-pyrazole-4-sulfonamide
PubChem CID126793474
Molecular FormulaC13H14FN3O3S
Molecular Weight311.34 g/mol
Exact Mass311.07
IUPAC NameN-[2-(cyclopropylmethoxy)-5-fluorophenyl]-1H-pyrazole-4-sulfonamide
SMILESO=S(=O)(Nc1cc(F)ccc1OCC1CC1)c1cn[nH]c1
InChIInChI=1S/C13H14FN3O3S/c14-10-3-4-13(20-8-9-1-2-9)12(5-10)17-21(18,19)11-6-15-16-7-11/h3-7,9,17H,1-2,8H2,(H,15,16)
InChIKeyBDMNJXNVSSEGAN-UHFFFAOYSA-N
XLogP2.14
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.34
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclopropylmethoxy)-5-fluorophenyl]-1H-pyrazole-4-sulfonamide?
The IUPAC name of N-[2-(cyclopropylmethoxy)-5-fluorophenyl]-1H-pyrazole-4-sulfonamide (CID 126793474) is N-[2-(cyclopropylmethoxy)-5-fluorophenyl]-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for N-[2-(cyclopropylmethoxy)-5-fluorophenyl]-1H-pyrazole-4-sulfonamide?
The canonical SMILES for N-[2-(cyclopropylmethoxy)-5-fluorophenyl]-1H-pyrazole-4-sulfonamide is O=S(=O)(Nc1cc(F)ccc1OCC1CC1)c1cn[nH]c1.
What is the InChIKey of N-[2-(cyclopropylmethoxy)-5-fluorophenyl]-1H-pyrazole-4-sulfonamide?
The InChIKey is BDMNJXNVSSEGAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN3O3S/c14-10-3-4-13(20-8-9-1-2-9)12(5-10)17-21(18,19)11-6-15-16-7-11/h3-7,9,17H,1-2,8H2,(H,15,16).
What are the key properties of N-[2-(cyclopropylmethoxy)-5-fluorophenyl]-1H-pyrazole-4-sulfonamide?
N-[2-(cyclopropylmethoxy)-5-fluorophenyl]-1H-pyrazole-4-sulfonamide has a molecular weight of 311.34 g/mol, XLogP of 2.14, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclopropylmethoxy)-5-fluorophenyl]-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 126793474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).