N-[2-(1H-imidazol-5-yl)ethyl]-4-sulfamoylbenzamide

C12H14N4O3S — CID 10851318

IUPACN-[2-(1H-imidazol-5-yl)ethyl]-4-sulfamoylbenzamide
SMILESNS(=O)(=O)c1ccc(C(=O)NCCc2cnc[nH]2)cc1
InChIInChI=1S/C12H14N4O3S/c13-20(18,19)11-3-1-9(2-4-11)12(17)15-6-5-10-7-14-8-16-10/h1-4,7-8H,5-6H2,(H,14,16)(H,15,17)(H2,13,18,19)
InChIKeyZXCVQCNIEYRZRX-UHFFFAOYSA-N
MW294.34 g/mol
LogP0.03
Rot. Bonds5

About N-[2-(1H-imidazol-5-yl)ethyl]-4-sulfamoylbenzamide

N-[2-(1H-imidazol-5-yl)ethyl]-4-sulfamoylbenzamide (PubChem CID 10851318) has the molecular formula C12H14N4O3S and a molecular weight of 294.34 g/mol. Its IUPAC name is N-[2-(1H-imidazol-5-yl)ethyl]-4-sulfamoylbenzamide.

Molecular Properties

Compound NameN-[2-(1H-imidazol-5-yl)ethyl]-4-sulfamoylbenzamide
PubChem CID10851318
Molecular FormulaC12H14N4O3S
Molecular Weight294.34 g/mol
Exact Mass294.08
IUPAC NameN-[2-(1H-imidazol-5-yl)ethyl]-4-sulfamoylbenzamide
SMILESNS(=O)(=O)c1ccc(C(=O)NCCc2cnc[nH]2)cc1
InChIInChI=1S/C12H14N4O3S/c13-20(18,19)11-3-1-9(2-4-11)12(17)15-6-5-10-7-14-8-16-10/h1-4,7-8H,5-6H2,(H,14,16)(H,15,17)(H2,13,18,19)
InChIKeyZXCVQCNIEYRZRX-UHFFFAOYSA-N
XLogP0.03
TPSA117.94 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.34
LogP ≤ 50.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-hydroxy-N-[2-(1H-imidazol-5-yl)ethyl]-3-[(4-sulfamoylphenyl)diazenyl]-1H-indole-5-carboxamide
CID 135434987
4-(hydroxymethyl)-N-[2-(1H-imidazol-5-yl)ethyl]benzamide
CID 65231177
3-(1H-imidazol-5-yl)-N-[2-(4-sulfamoylphenyl)ethyl]propanamide
CID 110697872
N-[2-(1H-imidazol-5-yl)ethyl]-1-methyl-4-sulfamoylpyrrole-2-carboxamide
CID 65231546
4-(3-hydroxypyrrolidin-1-yl)sulfonyl-N-[2-(1H-imidazol-5-yl)ethyl]benzamide
CID 70739425
4-[2-(1H-imidazol-5-yl)ethylsulfamoyl]benzamide
CID 65231463
4-(3-hydroxy-3-methylbutyl)-N-[2-(1H-imidazol-5-yl)ethyl]benzamide
CID 56914204
2-(1H-imidazol-5-yl)ethylurea
CID 10582986
N-[2-(1H-imidazol-5-yl)ethyl]-4-(piperidin-1-ylmethyl)benzamide
CID 50982303
2-hydrazinyl-N-[2-(1H-imidazol-5-yl)ethyl]pyridine-4-carboxamide
CID 65236308
ethyl 5-amino-1-[4-[2-(1H-imidazol-5-yl)ethylcarbamoyl]phenyl]pyrazole-4-carboxylate
CID 46363368
N-[2-(1H-imidazol-5-yl)ethyl]-1-benzothiophene-6-carboxamide
CID 91382735

Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-imidazol-5-yl)ethyl]-4-sulfamoylbenzamide?
The IUPAC name of N-[2-(1H-imidazol-5-yl)ethyl]-4-sulfamoylbenzamide (CID 10851318) is N-[2-(1H-imidazol-5-yl)ethyl]-4-sulfamoylbenzamide.
What is the SMILES notation for N-[2-(1H-imidazol-5-yl)ethyl]-4-sulfamoylbenzamide?
The canonical SMILES for N-[2-(1H-imidazol-5-yl)ethyl]-4-sulfamoylbenzamide is NS(=O)(=O)c1ccc(C(=O)NCCc2cnc[nH]2)cc1.
What is the InChIKey of N-[2-(1H-imidazol-5-yl)ethyl]-4-sulfamoylbenzamide?
The InChIKey is ZXCVQCNIEYRZRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O3S/c13-20(18,19)11-3-1-9(2-4-11)12(17)15-6-5-10-7-14-8-16-10/h1-4,7-8H,5-6H2,(H,14,16)(H,15,17)(H2,13,18,19).
What are the key properties of N-[2-(1H-imidazol-5-yl)ethyl]-4-sulfamoylbenzamide?
N-[2-(1H-imidazol-5-yl)ethyl]-4-sulfamoylbenzamide has a molecular weight of 294.34 g/mol, XLogP of 0.03, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-imidazol-5-yl)ethyl]-4-sulfamoylbenzamide is sourced from PubChem (CID 10851318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).