4-(2-hydroxyethyl)-N-(4-sulfamoylphenyl)piperazine-1-carboxamide

C13H20N4O4S — CID 122187423

IUPAC4-(2-hydroxyethyl)-N-(4-sulfamoylphenyl)piperazine-1-carboxamide
SMILESNS(=O)(=O)c1ccc(NC(=O)N2CCN(CCO)CC2)cc1
InChIInChI=1S/C13H20N4O4S/c14-22(20,21)12-3-1-11(2-4-12)15-13(19)17-7-5-16(6-8-17)9-10-18/h1-4,18H,5-10H2,(H,15,19)(H2,14,20,21)
InChIKeyBMTFUCNZAFBJOZ-UHFFFAOYSA-N
MW328.39 g/mol
LogP-0.52
Rot. Bonds4

About 4-(2-hydroxyethyl)-N-(4-sulfamoylphenyl)piperazine-1-carboxamide

4-(2-hydroxyethyl)-N-(4-sulfamoylphenyl)piperazine-1-carboxamide (PubChem CID 122187423) has the molecular formula C13H20N4O4S and a molecular weight of 328.39 g/mol. Its IUPAC name is 4-(2-hydroxyethyl)-N-(4-sulfamoylphenyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(2-hydroxyethyl)-N-(4-sulfamoylphenyl)piperazine-1-carboxamide
PubChem CID122187423
Molecular FormulaC13H20N4O4S
Molecular Weight328.39 g/mol
Exact Mass328.12
IUPAC Name4-(2-hydroxyethyl)-N-(4-sulfamoylphenyl)piperazine-1-carboxamide
SMILESNS(=O)(=O)c1ccc(NC(=O)N2CCN(CCO)CC2)cc1
InChIInChI=1S/C13H20N4O4S/c14-22(20,21)12-3-1-11(2-4-12)15-13(19)17-7-5-16(6-8-17)9-10-18/h1-4,18H,5-10H2,(H,15,19)(H2,14,20,21)
InChIKeyBMTFUCNZAFBJOZ-UHFFFAOYSA-N
XLogP-0.52
TPSA115.97 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.39
LogP ≤ 5-0.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(2-hydroxyethyl)-N-(4-sulfamoylphenyl)piperazine-1-carboxamide?
The IUPAC name of 4-(2-hydroxyethyl)-N-(4-sulfamoylphenyl)piperazine-1-carboxamide (CID 122187423) is 4-(2-hydroxyethyl)-N-(4-sulfamoylphenyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-(2-hydroxyethyl)-N-(4-sulfamoylphenyl)piperazine-1-carboxamide?
The canonical SMILES for 4-(2-hydroxyethyl)-N-(4-sulfamoylphenyl)piperazine-1-carboxamide is NS(=O)(=O)c1ccc(NC(=O)N2CCN(CCO)CC2)cc1.
What is the InChIKey of 4-(2-hydroxyethyl)-N-(4-sulfamoylphenyl)piperazine-1-carboxamide?
The InChIKey is BMTFUCNZAFBJOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O4S/c14-22(20,21)12-3-1-11(2-4-12)15-13(19)17-7-5-16(6-8-17)9-10-18/h1-4,18H,5-10H2,(H,15,19)(H2,14,20,21).
What are the key properties of 4-(2-hydroxyethyl)-N-(4-sulfamoylphenyl)piperazine-1-carboxamide?
4-(2-hydroxyethyl)-N-(4-sulfamoylphenyl)piperazine-1-carboxamide has a molecular weight of 328.39 g/mol, XLogP of -0.52, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-hydroxyethyl)-N-(4-sulfamoylphenyl)piperazine-1-carboxamide is sourced from PubChem (CID 122187423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).