3-[6-(aminomethyl)pyrimidin-4-yl]oxy-N-(2-sulfamoylethyl)benzamide;hydrochloride

C14H18ClN5O4S — CID 135186057

IUPAC3-[6-(aminomethyl)pyrimidin-4-yl]oxy-N-(2-sulfamoylethyl)benzamide;hydrochloride
SMILESCl.NCc1cc(Oc2cccc(C(=O)NCCS(N)(=O)=O)c2)ncn1
InChIInChI=1S/C14H17N5O4S.ClH/c15-8-11-7-13(19-9-18-11)23-12-3-1-2-10(6-12)14(20)17-4-5-24(16,21)22;/h1-3,6-7,9H,4-5,8,15H2,(H,17,20)(H2,16,21,22);1H
InChIKeyJJUUZRRCZMLZKC-UHFFFAOYSA-N
MW387.85 g/mol
LogP0.17
Rot. Bonds7

About 3-[6-(aminomethyl)pyrimidin-4-yl]oxy-N-(2-sulfamoylethyl)benzamide;hydrochloride

3-[6-(aminomethyl)pyrimidin-4-yl]oxy-N-(2-sulfamoylethyl)benzamide;hydrochloride (PubChem CID 135186057) has the molecular formula C14H18ClN5O4S and a molecular weight of 387.85 g/mol. Its IUPAC name is 3-[6-(aminomethyl)pyrimidin-4-yl]oxy-N-(2-sulfamoylethyl)benzamide;hydrochloride.

Molecular Properties

Compound Name3-[6-(aminomethyl)pyrimidin-4-yl]oxy-N-(2-sulfamoylethyl)benzamide;hydrochloride
PubChem CID135186057
Molecular FormulaC14H18ClN5O4S
Molecular Weight387.85 g/mol
Exact Mass387.08
IUPAC Name3-[6-(aminomethyl)pyrimidin-4-yl]oxy-N-(2-sulfamoylethyl)benzamide;hydrochloride
SMILESCl.NCc1cc(Oc2cccc(C(=O)NCCS(N)(=O)=O)c2)ncn1
InChIInChI=1S/C14H17N5O4S.ClH/c15-8-11-7-13(19-9-18-11)23-12-3-1-2-10(6-12)14(20)17-4-5-24(16,21)22;/h1-3,6-7,9H,4-5,8,15H2,(H,17,20)(H2,16,21,22);1H
InChIKeyJJUUZRRCZMLZKC-UHFFFAOYSA-N
XLogP0.17
TPSA150.29 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.85
LogP ≤ 50.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

3-[[4-(aminomethyl)-2-pyridinyl]oxy]-N-(2-methoxyethyl)benzamide
CID 122516140
N-pentyl-3-(6-phenylpyrimidin-4-yl)oxybenzamide
CID 53021376
N-(2-sulfamoylethyl)-3-(trifluoromethyl)benzamide
CID 61068183
2-amino-N-(2-sulfamoylethyl)pyridine-4-carboxamide
CID 62155665
3-[6-(4-methoxyphenyl)pyrimidin-4-yl]oxy-N-pentylbenzamide
CID 53011517
3-[(3-phenoxybenzoyl)amino]propane-1-sulfonic acid
CID 18948300
4-fluoro-3-methoxy-N-(2-sulfamoylethyl)benzamide
CID 81049854
3-[[4-(aminomethyl)-6-methyl-2-pyridinyl]oxy]-N-[2-(dimethylamino)ethyl]benzamide;methane
CID 158757538
N-octyl-3-pyridin-2-yloxybenzamide
CID 90596511
N-hexyl-3-pyridin-2-yloxybenzamide
CID 90596510
2-(aminomethyl)-N-(2-methylsulfonylethyl)pyridine-4-carboxamide
CID 114325900
N-(3-aminopropyl)-3-ethoxybenzamide;hydrochloride
CID 119407722

Frequently Asked Questions

What is the IUPAC name of 3-[6-(aminomethyl)pyrimidin-4-yl]oxy-N-(2-sulfamoylethyl)benzamide;hydrochloride?
The IUPAC name of 3-[6-(aminomethyl)pyrimidin-4-yl]oxy-N-(2-sulfamoylethyl)benzamide;hydrochloride (CID 135186057) is 3-[6-(aminomethyl)pyrimidin-4-yl]oxy-N-(2-sulfamoylethyl)benzamide;hydrochloride.
What is the SMILES notation for 3-[6-(aminomethyl)pyrimidin-4-yl]oxy-N-(2-sulfamoylethyl)benzamide;hydrochloride?
The canonical SMILES for 3-[6-(aminomethyl)pyrimidin-4-yl]oxy-N-(2-sulfamoylethyl)benzamide;hydrochloride is Cl.NCc1cc(Oc2cccc(C(=O)NCCS(N)(=O)=O)c2)ncn1.
What is the InChIKey of 3-[6-(aminomethyl)pyrimidin-4-yl]oxy-N-(2-sulfamoylethyl)benzamide;hydrochloride?
The InChIKey is JJUUZRRCZMLZKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O4S.ClH/c15-8-11-7-13(19-9-18-11)23-12-3-1-2-10(6-12)14(20)17-4-5-24(16,21)22;/h1-3,6-7,9H,4-5,8,15H2,(H,17,20)(H2,16,21,22);1H.
What are the key properties of 3-[6-(aminomethyl)pyrimidin-4-yl]oxy-N-(2-sulfamoylethyl)benzamide;hydrochloride?
3-[6-(aminomethyl)pyrimidin-4-yl]oxy-N-(2-sulfamoylethyl)benzamide;hydrochloride has a molecular weight of 387.85 g/mol, XLogP of 0.17, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-(aminomethyl)pyrimidin-4-yl]oxy-N-(2-sulfamoylethyl)benzamide;hydrochloride is sourced from PubChem (CID 135186057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).