2-benzoyl-N-(2-morpholin-4-ylethyl)benzenesulfonamide;hydrochloride

C19H23ClN2O4S — CID 3086747

IUPAC2-benzoyl-N-(2-morpholin-4-ylethyl)benzenesulfonamide;hydrochloride
SMILESCl.O=C(c1ccccc1)c1ccccc1S(=O)(=O)NCCN1CCOCC1
InChIInChI=1S/C19H22N2O4S.ClH/c22-19(16-6-2-1-3-7-16)17-8-4-5-9-18(17)26(23,24)20-10-11-21-12-14-25-15-13-21;/h1-9,20H,10-15H2;1H
InChIKeyMHQMFVPRLJHVKC-UHFFFAOYSA-N
MW410.92 g/mol
LogP1.95
Rot. Bonds7

About 2-benzoyl-N-(2-morpholin-4-ylethyl)benzenesulfonamide;hydrochloride

2-benzoyl-N-(2-morpholin-4-ylethyl)benzenesulfonamide;hydrochloride (PubChem CID 3086747) has the molecular formula C19H23ClN2O4S and a molecular weight of 410.92 g/mol. Its IUPAC name is 2-benzoyl-N-(2-morpholin-4-ylethyl)benzenesulfonamide;hydrochloride.

Molecular Properties

Compound Name2-benzoyl-N-(2-morpholin-4-ylethyl)benzenesulfonamide;hydrochloride
PubChem CID3086747
Molecular FormulaC19H23ClN2O4S
Molecular Weight410.92 g/mol
Exact Mass410.11
IUPAC Name2-benzoyl-N-(2-morpholin-4-ylethyl)benzenesulfonamide;hydrochloride
SMILESCl.O=C(c1ccccc1)c1ccccc1S(=O)(=O)NCCN1CCOCC1
InChIInChI=1S/C19H22N2O4S.ClH/c22-19(16-6-2-1-3-7-16)17-8-4-5-9-18(17)26(23,24)20-10-11-21-12-14-25-15-13-21;/h1-9,20H,10-15H2;1H
InChIKeyMHQMFVPRLJHVKC-UHFFFAOYSA-N
XLogP1.95
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.92
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-hydroxy-N-(3-morpholin-4-ylpropyl)benzenesulfonamide
CID 81242131
3-fluoro-4-(2-morpholin-4-ylethylsulfamoyl)benzoic acid
CID 154741645
4-bromo-N-(2-morpholin-4-ylethyl)naphthalene-1-sulfonamide
CID 16644689
2-hydroxy-5-(2-morpholin-4-ylethylsulfamoyl)benzoic acid
CID 8891748
4-tert-butyl-N-(2-morpholin-4-ylethyl)benzenesulfonamide;oxalic acid
CID 56603480
2-(aminomethyl)-N-(3-morpholin-4-ylpropyl)benzenesulfonamide
CID 43348234
2-(3-morpholin-4-ylpropylamino)-1-phenylpropan-1-one
CID 82100038
1-hydroxy-N-(3-morpholin-4-ylpropyl)naphthalene-2-sulfonamide
CID 70180257
4-fluoro-3-(3-morpholin-4-ylpropylsulfamoyl)benzoic acid
CID 4135399
N-(2-morpholin-4-ylethyl)-2-oxo-2-phenylacetamide
CID 94274550
2-(benzenesulfonamido)-N-(2-morpholin-4-ylethyl)acetamide
CID 110285207
2-benzyl-N-(2-morpholin-4-ylethyl)benzamide
CID 51159471

Frequently Asked Questions

What is the IUPAC name of 2-benzoyl-N-(2-morpholin-4-ylethyl)benzenesulfonamide;hydrochloride?
The IUPAC name of 2-benzoyl-N-(2-morpholin-4-ylethyl)benzenesulfonamide;hydrochloride (CID 3086747) is 2-benzoyl-N-(2-morpholin-4-ylethyl)benzenesulfonamide;hydrochloride.
What is the SMILES notation for 2-benzoyl-N-(2-morpholin-4-ylethyl)benzenesulfonamide;hydrochloride?
The canonical SMILES for 2-benzoyl-N-(2-morpholin-4-ylethyl)benzenesulfonamide;hydrochloride is Cl.O=C(c1ccccc1)c1ccccc1S(=O)(=O)NCCN1CCOCC1.
What is the InChIKey of 2-benzoyl-N-(2-morpholin-4-ylethyl)benzenesulfonamide;hydrochloride?
The InChIKey is MHQMFVPRLJHVKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O4S.ClH/c22-19(16-6-2-1-3-7-16)17-8-4-5-9-18(17)26(23,24)20-10-11-21-12-14-25-15-13-21;/h1-9,20H,10-15H2;1H.
What are the key properties of 2-benzoyl-N-(2-morpholin-4-ylethyl)benzenesulfonamide;hydrochloride?
2-benzoyl-N-(2-morpholin-4-ylethyl)benzenesulfonamide;hydrochloride has a molecular weight of 410.92 g/mol, XLogP of 1.95, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzoyl-N-(2-morpholin-4-ylethyl)benzenesulfonamide;hydrochloride is sourced from PubChem (CID 3086747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).