N-[2-(2-hydroxyethoxy)ethyl]-1-methylpyrazole-4-sulfonamide

C8H15N3O4S — CID 62498133

IUPACN-[2-(2-hydroxyethoxy)ethyl]-1-methylpyrazole-4-sulfonamide
SMILESCn1cc(S(=O)(=O)NCCOCCO)cn1
InChIInChI=1S/C8H15N3O4S/c1-11-7-8(6-9-11)16(13,14)10-2-4-15-5-3-12/h6-7,10,12H,2-5H2,1H3
InChIKeyTVRCLKBTXDBNKS-UHFFFAOYSA-N
MW249.29 g/mol
LogP-1.29
Rot. Bonds7

About N-[2-(2-hydroxyethoxy)ethyl]-1-methylpyrazole-4-sulfonamide

N-[2-(2-hydroxyethoxy)ethyl]-1-methylpyrazole-4-sulfonamide (PubChem CID 62498133) has the molecular formula C8H15N3O4S and a molecular weight of 249.29 g/mol. Its IUPAC name is N-[2-(2-hydroxyethoxy)ethyl]-1-methylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-[2-(2-hydroxyethoxy)ethyl]-1-methylpyrazole-4-sulfonamide
PubChem CID62498133
Molecular FormulaC8H15N3O4S
Molecular Weight249.29 g/mol
Exact Mass249.08
IUPAC NameN-[2-(2-hydroxyethoxy)ethyl]-1-methylpyrazole-4-sulfonamide
SMILESCn1cc(S(=O)(=O)NCCOCCO)cn1
InChIInChI=1S/C8H15N3O4S/c1-11-7-8(6-9-11)16(13,14)10-2-4-15-5-3-12/h6-7,10,12H,2-5H2,1H3
InChIKeyTVRCLKBTXDBNKS-UHFFFAOYSA-N
XLogP-1.29
TPSA93.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.29
LogP ≤ 5-1.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[4-[2-(2-hydroxyethoxy)ethylsulfamoyl]pyrazol-1-yl]acetic acid
CID 62497992
1-methyl-N-(2-methylprop-2-enyl)pyrazole-4-sulfonamide
CID 114616511
N-(2-chloroethyl)-1-methylpyrazole-4-sulfonamide
CID 62062630
N-(2-chloroprop-2-enyl)-1-methylpyrazole-4-sulfonamide
CID 115638532
1-methyl-N-(2-sulfamoylethyl)pyrazole-4-sulfonamide
CID 62063368
2-[(1-methylpyrazol-4-yl)sulfonylamino]ethanesulfonyl chloride
CID 81358188
4-[(1-methylpyrazol-4-yl)sulfonylamino]butanoic acid
CID 43361171
5-[(1-methylpyrazol-4-yl)sulfonylamino]pentanoic acid
CID 62033979
N-(6-chlorohexyl)-1-methylpyrazole-4-sulfonamide
CID 107849199
N-(5-iodopentyl)-1-methylpyrazole-4-sulfonamide
CID 107322883
N-(3-chlorobutyl)-1-methylpyrazole-4-sulfonamide
CID 65032541
2-[[2-[(1-methylpyrazol-4-yl)sulfonylamino]acetyl]amino]propanoic acid
CID 119348503

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-hydroxyethoxy)ethyl]-1-methylpyrazole-4-sulfonamide?
The IUPAC name of N-[2-(2-hydroxyethoxy)ethyl]-1-methylpyrazole-4-sulfonamide (CID 62498133) is N-[2-(2-hydroxyethoxy)ethyl]-1-methylpyrazole-4-sulfonamide.
What is the SMILES notation for N-[2-(2-hydroxyethoxy)ethyl]-1-methylpyrazole-4-sulfonamide?
The canonical SMILES for N-[2-(2-hydroxyethoxy)ethyl]-1-methylpyrazole-4-sulfonamide is Cn1cc(S(=O)(=O)NCCOCCO)cn1.
What is the InChIKey of N-[2-(2-hydroxyethoxy)ethyl]-1-methylpyrazole-4-sulfonamide?
The InChIKey is TVRCLKBTXDBNKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O4S/c1-11-7-8(6-9-11)16(13,14)10-2-4-15-5-3-12/h6-7,10,12H,2-5H2,1H3.
What are the key properties of N-[2-(2-hydroxyethoxy)ethyl]-1-methylpyrazole-4-sulfonamide?
N-[2-(2-hydroxyethoxy)ethyl]-1-methylpyrazole-4-sulfonamide has a molecular weight of 249.29 g/mol, XLogP of -1.29, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-hydroxyethoxy)ethyl]-1-methylpyrazole-4-sulfonamide is sourced from PubChem (CID 62498133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).