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

C16H19ClN2O4S2 — CID 45261799

IUPAC4-[4-(morpholin-4-ylmethyl)benzoyl]thiophene-2-sulfonamide;hydrochloride
SMILESCl.NS(=O)(=O)c1cc(C(=O)c2ccc(CN3CCOCC3)cc2)cs1
InChIInChI=1S/C16H18N2O4S2.ClH/c17-24(20,21)15-9-14(11-23-15)16(19)13-3-1-12(2-4-13)10-18-5-7-22-8-6-18;/h1-4,9,11H,5-8,10H2,(H2,17,20,21);1H
InChIKeySLPYEXZIHQAFAT-UHFFFAOYSA-N
MW402.93 g/mol
LogP1.88
Rot. Bonds5

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

4-[4-(morpholin-4-ylmethyl)benzoyl]thiophene-2-sulfonamide;hydrochloride (PubChem CID 45261799) has the molecular formula C16H19ClN2O4S2 and a molecular weight of 402.93 g/mol. Its IUPAC name is 4-[4-(morpholin-4-ylmethyl)benzoyl]thiophene-2-sulfonamide;hydrochloride.

Molecular Properties

Compound Name4-[4-(morpholin-4-ylmethyl)benzoyl]thiophene-2-sulfonamide;hydrochloride
PubChem CID45261799
Molecular FormulaC16H19ClN2O4S2
Molecular Weight402.93 g/mol
Exact Mass402.05
IUPAC Name4-[4-(morpholin-4-ylmethyl)benzoyl]thiophene-2-sulfonamide;hydrochloride
SMILESCl.NS(=O)(=O)c1cc(C(=O)c2ccc(CN3CCOCC3)cc2)cs1
InChIInChI=1S/C16H18N2O4S2.ClH/c17-24(20,21)15-9-14(11-23-15)16(19)13-3-1-12(2-4-13)10-18-5-7-22-8-6-18;/h1-4,9,11H,5-8,10H2,(H2,17,20,21);1H
InChIKeySLPYEXZIHQAFAT-UHFFFAOYSA-N
XLogP1.88
TPSA89.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.93
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(morpholin-4-ylmethyl)benzoyl]thiophene-2-sulfonamide;hydrochloride?
The IUPAC name of 4-[4-(morpholin-4-ylmethyl)benzoyl]thiophene-2-sulfonamide;hydrochloride (CID 45261799) is 4-[4-(morpholin-4-ylmethyl)benzoyl]thiophene-2-sulfonamide;hydrochloride.
What is the SMILES notation for 4-[4-(morpholin-4-ylmethyl)benzoyl]thiophene-2-sulfonamide;hydrochloride?
The canonical SMILES for 4-[4-(morpholin-4-ylmethyl)benzoyl]thiophene-2-sulfonamide;hydrochloride is Cl.NS(=O)(=O)c1cc(C(=O)c2ccc(CN3CCOCC3)cc2)cs1.
What is the InChIKey of 4-[4-(morpholin-4-ylmethyl)benzoyl]thiophene-2-sulfonamide;hydrochloride?
The InChIKey is SLPYEXZIHQAFAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O4S2.ClH/c17-24(20,21)15-9-14(11-23-15)16(19)13-3-1-12(2-4-13)10-18-5-7-22-8-6-18;/h1-4,9,11H,5-8,10H2,(H2,17,20,21);1H.
What are the key properties of 4-[4-(morpholin-4-ylmethyl)benzoyl]thiophene-2-sulfonamide;hydrochloride?
4-[4-(morpholin-4-ylmethyl)benzoyl]thiophene-2-sulfonamide;hydrochloride has a molecular weight of 402.93 g/mol, XLogP of 1.88, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(morpholin-4-ylmethyl)benzoyl]thiophene-2-sulfonamide;hydrochloride is sourced from PubChem (CID 45261799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).