4-[4-(methylaminomethyl)benzoyl]thiophene-2-sulfonamide;hydrochloride

C13H15ClN2O3S2 — CID 45265200

IUPAC4-[4-(methylaminomethyl)benzoyl]thiophene-2-sulfonamide;hydrochloride
SMILESCNCc1ccc(C(=O)c2csc(S(N)(=O)=O)c2)cc1.Cl
InChIInChI=1S/C13H14N2O3S2.ClH/c1-15-7-9-2-4-10(5-3-9)13(16)11-6-12(19-8-11)20(14,17)18;/h2-6,8,15H,7H2,1H3,(H2,14,17,18);1H
InChIKeyCHUFPYKTZKSLIM-UHFFFAOYSA-N
MW346.86 g/mol
LogP1.77
Rot. Bonds5

About 4-[4-(methylaminomethyl)benzoyl]thiophene-2-sulfonamide;hydrochloride

4-[4-(methylaminomethyl)benzoyl]thiophene-2-sulfonamide;hydrochloride (PubChem CID 45265200) has the molecular formula C13H15ClN2O3S2 and a molecular weight of 346.86 g/mol. Its IUPAC name is 4-[4-(methylaminomethyl)benzoyl]thiophene-2-sulfonamide;hydrochloride.

Molecular Properties

Compound Name4-[4-(methylaminomethyl)benzoyl]thiophene-2-sulfonamide;hydrochloride
PubChem CID45265200
Molecular FormulaC13H15ClN2O3S2
Molecular Weight346.86 g/mol
Exact Mass346.02
IUPAC Name4-[4-(methylaminomethyl)benzoyl]thiophene-2-sulfonamide;hydrochloride
SMILESCNCc1ccc(C(=O)c2csc(S(N)(=O)=O)c2)cc1.Cl
InChIInChI=1S/C13H14N2O3S2.ClH/c1-15-7-9-2-4-10(5-3-9)13(16)11-6-12(19-8-11)20(14,17)18;/h2-6,8,15H,7H2,1H3,(H2,14,17,18);1H
InChIKeyCHUFPYKTZKSLIM-UHFFFAOYSA-N
XLogP1.77
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.86
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(methylaminomethyl)benzoyl]thiophene-2-sulfonamide;hydrochloride?
The IUPAC name of 4-[4-(methylaminomethyl)benzoyl]thiophene-2-sulfonamide;hydrochloride (CID 45265200) is 4-[4-(methylaminomethyl)benzoyl]thiophene-2-sulfonamide;hydrochloride.
What is the SMILES notation for 4-[4-(methylaminomethyl)benzoyl]thiophene-2-sulfonamide;hydrochloride?
The canonical SMILES for 4-[4-(methylaminomethyl)benzoyl]thiophene-2-sulfonamide;hydrochloride is CNCc1ccc(C(=O)c2csc(S(N)(=O)=O)c2)cc1.Cl.
What is the InChIKey of 4-[4-(methylaminomethyl)benzoyl]thiophene-2-sulfonamide;hydrochloride?
The InChIKey is CHUFPYKTZKSLIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O3S2.ClH/c1-15-7-9-2-4-10(5-3-9)13(16)11-6-12(19-8-11)20(14,17)18;/h2-6,8,15H,7H2,1H3,(H2,14,17,18);1H.
What are the key properties of 4-[4-(methylaminomethyl)benzoyl]thiophene-2-sulfonamide;hydrochloride?
4-[4-(methylaminomethyl)benzoyl]thiophene-2-sulfonamide;hydrochloride has a molecular weight of 346.86 g/mol, XLogP of 1.77, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(methylaminomethyl)benzoyl]thiophene-2-sulfonamide;hydrochloride is sourced from PubChem (CID 45265200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).