N-[3-(2-methoxyethoxy)phenyl]-1H-pyrazole-4-sulfonamide

C12H15N3O4S — CID 47267959

IUPACN-[3-(2-methoxyethoxy)phenyl]-1H-pyrazole-4-sulfonamide
SMILESCOCCOc1cccc(NS(=O)(=O)c2cn[nH]c2)c1
InChIInChI=1S/C12H15N3O4S/c1-18-5-6-19-11-4-2-3-10(7-11)15-20(16,17)12-8-13-14-9-12/h2-4,7-9,15H,5-6H2,1H3,(H,13,14)
InChIKeySESPNLVAQHCRHF-UHFFFAOYSA-N
MW297.34 g/mol
LogP1.24
Rot. Bonds7

About N-[3-(2-methoxyethoxy)phenyl]-1H-pyrazole-4-sulfonamide

N-[3-(2-methoxyethoxy)phenyl]-1H-pyrazole-4-sulfonamide (PubChem CID 47267959) has the molecular formula C12H15N3O4S and a molecular weight of 297.34 g/mol. Its IUPAC name is N-[3-(2-methoxyethoxy)phenyl]-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-[3-(2-methoxyethoxy)phenyl]-1H-pyrazole-4-sulfonamide
PubChem CID47267959
Molecular FormulaC12H15N3O4S
Molecular Weight297.34 g/mol
Exact Mass297.08
IUPAC NameN-[3-(2-methoxyethoxy)phenyl]-1H-pyrazole-4-sulfonamide
SMILESCOCCOc1cccc(NS(=O)(=O)c2cn[nH]c2)c1
InChIInChI=1S/C12H15N3O4S/c1-18-5-6-19-11-4-2-3-10(7-11)15-20(16,17)12-8-13-14-9-12/h2-4,7-9,15H,5-6H2,1H3,(H,13,14)
InChIKeySESPNLVAQHCRHF-UHFFFAOYSA-N
XLogP1.24
TPSA93.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.34
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-(2-methoxyethoxy)phenyl]-1H-pyrazole-4-carboxamide
CID 54867752
N-(3-methylsulfonylphenyl)-1H-pyrazole-4-sulfonamide
CID 47267601
2-amino-N-[3-(2-methoxyethoxy)phenyl]ethanesulfonamide
CID 39373158
N-[3-(pyrrolidin-1-ylmethyl)phenyl]-1H-pyrazole-4-sulfonamide
CID 61274374
N-(4-ethoxy-3-methoxyphenyl)-1H-pyrazole-4-sulfonamide
CID 60917021
3-(1H-pyrazol-4-ylsulfonylamino)benzenecarbothioamide
CID 54937180
N-[3-(2-aminoethoxy)phenyl]-4-fluorobenzenesulfonamide
CID 28755040
5-methyl-N-(3-propoxyphenyl)-1H-pyrazole-4-sulfonamide
CID 61273624
N-[4-(2-methoxyethoxy)phenyl]benzenesulfonamide
CID 39874629
N-(3,4-difluorophenyl)-1H-pyrazole-4-sulfonamide
CID 60912012
N-(6-chloro-3-pyridinyl)-1H-pyrazole-4-sulfonamide
CID 78945043
N-[4-(aminomethyl)phenyl]-1H-pyrazole-4-sulfonamide
CID 54936916

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-methoxyethoxy)phenyl]-1H-pyrazole-4-sulfonamide?
The IUPAC name of N-[3-(2-methoxyethoxy)phenyl]-1H-pyrazole-4-sulfonamide (CID 47267959) is N-[3-(2-methoxyethoxy)phenyl]-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for N-[3-(2-methoxyethoxy)phenyl]-1H-pyrazole-4-sulfonamide?
The canonical SMILES for N-[3-(2-methoxyethoxy)phenyl]-1H-pyrazole-4-sulfonamide is COCCOc1cccc(NS(=O)(=O)c2cn[nH]c2)c1.
What is the InChIKey of N-[3-(2-methoxyethoxy)phenyl]-1H-pyrazole-4-sulfonamide?
The InChIKey is SESPNLVAQHCRHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O4S/c1-18-5-6-19-11-4-2-3-10(7-11)15-20(16,17)12-8-13-14-9-12/h2-4,7-9,15H,5-6H2,1H3,(H,13,14).
What are the key properties of N-[3-(2-methoxyethoxy)phenyl]-1H-pyrazole-4-sulfonamide?
N-[3-(2-methoxyethoxy)phenyl]-1H-pyrazole-4-sulfonamide has a molecular weight of 297.34 g/mol, XLogP of 1.24, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-methoxyethoxy)phenyl]-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 47267959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).