N-[2-[4-[5-(aminomethyl)thiophen-2-yl]sulfonylphenyl]sulfonylethyl]methanesulfonamide;hydrochloride

C14H19ClN2O6S4 — CID 138618932

IUPACN-[2-[4-[5-(aminomethyl)thiophen-2-yl]sulfonylphenyl]sulfonylethyl]methanesulfonamide;hydrochloride
SMILESCS(=O)(=O)NCCS(=O)(=O)c1ccc(S(=O)(=O)c2ccc(CN)s2)cc1.Cl
InChIInChI=1S/C14H18N2O6S4.ClH/c1-24(17,18)16-8-9-25(19,20)12-3-5-13(6-4-12)26(21,22)14-7-2-11(10-15)23-14;/h2-7,16H,8-10,15H2,1H3;1H
InChIKeyHKZYBZDEAMRQBL-UHFFFAOYSA-N
MW475.04 g/mol
LogP0.78
Rot. Bonds8

About N-[2-[4-[5-(aminomethyl)thiophen-2-yl]sulfonylphenyl]sulfonylethyl]methanesulfonamide;hydrochloride

N-[2-[4-[5-(aminomethyl)thiophen-2-yl]sulfonylphenyl]sulfonylethyl]methanesulfonamide;hydrochloride (PubChem CID 138618932) has the molecular formula C14H19ClN2O6S4 and a molecular weight of 475.04 g/mol. Its IUPAC name is N-[2-[4-[5-(aminomethyl)thiophen-2-yl]sulfonylphenyl]sulfonylethyl]methanesulfonamide;hydrochloride.

Molecular Properties

Compound NameN-[2-[4-[5-(aminomethyl)thiophen-2-yl]sulfonylphenyl]sulfonylethyl]methanesulfonamide;hydrochloride
PubChem CID138618932
Molecular FormulaC14H19ClN2O6S4
Molecular Weight475.04 g/mol
Exact Mass473.98
IUPAC NameN-[2-[4-[5-(aminomethyl)thiophen-2-yl]sulfonylphenyl]sulfonylethyl]methanesulfonamide;hydrochloride
SMILESCS(=O)(=O)NCCS(=O)(=O)c1ccc(S(=O)(=O)c2ccc(CN)s2)cc1.Cl
InChIInChI=1S/C14H18N2O6S4.ClH/c1-24(17,18)16-8-9-25(19,20)12-3-5-13(6-4-12)26(21,22)14-7-2-11(10-15)23-14;/h2-7,16H,8-10,15H2,1H3;1H
InChIKeyHKZYBZDEAMRQBL-UHFFFAOYSA-N
XLogP0.78
TPSA140.47 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.04
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[5-(aminomethyl)thiophen-2-yl]sulfonylphenyl]sulfonylethyl]methanesulfonamide;hydrochloride?
The IUPAC name of N-[2-[4-[5-(aminomethyl)thiophen-2-yl]sulfonylphenyl]sulfonylethyl]methanesulfonamide;hydrochloride (CID 138618932) is N-[2-[4-[5-(aminomethyl)thiophen-2-yl]sulfonylphenyl]sulfonylethyl]methanesulfonamide;hydrochloride.
What is the SMILES notation for N-[2-[4-[5-(aminomethyl)thiophen-2-yl]sulfonylphenyl]sulfonylethyl]methanesulfonamide;hydrochloride?
The canonical SMILES for N-[2-[4-[5-(aminomethyl)thiophen-2-yl]sulfonylphenyl]sulfonylethyl]methanesulfonamide;hydrochloride is CS(=O)(=O)NCCS(=O)(=O)c1ccc(S(=O)(=O)c2ccc(CN)s2)cc1.Cl.
What is the InChIKey of N-[2-[4-[5-(aminomethyl)thiophen-2-yl]sulfonylphenyl]sulfonylethyl]methanesulfonamide;hydrochloride?
The InChIKey is HKZYBZDEAMRQBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O6S4.ClH/c1-24(17,18)16-8-9-25(19,20)12-3-5-13(6-4-12)26(21,22)14-7-2-11(10-15)23-14;/h2-7,16H,8-10,15H2,1H3;1H.
What are the key properties of N-[2-[4-[5-(aminomethyl)thiophen-2-yl]sulfonylphenyl]sulfonylethyl]methanesulfonamide;hydrochloride?
N-[2-[4-[5-(aminomethyl)thiophen-2-yl]sulfonylphenyl]sulfonylethyl]methanesulfonamide;hydrochloride has a molecular weight of 475.04 g/mol, XLogP of 0.78, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-[5-(aminomethyl)thiophen-2-yl]sulfonylphenyl]sulfonylethyl]methanesulfonamide;hydrochloride is sourced from PubChem (CID 138618932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).