4-(morpholine-4-carbonyl)-N-pyrrolidin-3-ylbenzenesulfonamide;hydrochloride

C15H22ClN3O4S — CID 119966760

IUPAC4-(morpholine-4-carbonyl)-N-pyrrolidin-3-ylbenzenesulfonamide;hydrochloride
SMILESCl.O=C(c1ccc(S(=O)(=O)NC2CCNC2)cc1)N1CCOCC1
InChIInChI=1S/C15H21N3O4S.ClH/c19-15(18-7-9-22-10-8-18)12-1-3-14(4-2-12)23(20,21)17-13-5-6-16-11-13;/h1-4,13,16-17H,5-11H2;1H
InChIKeyWDLBTMXXRJKCHA-UHFFFAOYSA-N
MW375.88 g/mol
LogP0.22
Rot. Bonds4

About 4-(morpholine-4-carbonyl)-N-pyrrolidin-3-ylbenzenesulfonamide;hydrochloride

4-(morpholine-4-carbonyl)-N-pyrrolidin-3-ylbenzenesulfonamide;hydrochloride (PubChem CID 119966760) has the molecular formula C15H22ClN3O4S and a molecular weight of 375.88 g/mol. Its IUPAC name is 4-(morpholine-4-carbonyl)-N-pyrrolidin-3-ylbenzenesulfonamide;hydrochloride.

Molecular Properties

Compound Name4-(morpholine-4-carbonyl)-N-pyrrolidin-3-ylbenzenesulfonamide;hydrochloride
PubChem CID119966760
Molecular FormulaC15H22ClN3O4S
Molecular Weight375.88 g/mol
Exact Mass375.10
IUPAC Name4-(morpholine-4-carbonyl)-N-pyrrolidin-3-ylbenzenesulfonamide;hydrochloride
SMILESCl.O=C(c1ccc(S(=O)(=O)NC2CCNC2)cc1)N1CCOCC1
InChIInChI=1S/C15H21N3O4S.ClH/c19-15(18-7-9-22-10-8-18)12-1-3-14(4-2-12)23(20,21)17-13-5-6-16-11-13;/h1-4,13,16-17H,5-11H2;1H
InChIKeyWDLBTMXXRJKCHA-UHFFFAOYSA-N
XLogP0.22
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.88
LogP ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(morpholine-4-carbonyl)-N-pyrrolidin-3-ylbenzenesulfonamide
CID 119966761
4-(morpholine-4-carbonyl)-N-piperidin-4-ylbenzenesulfonamide;hydrochloride
CID 119960379
4-(morpholine-4-carbonyl)-N-piperidin-3-ylbenzenesulfonamide
CID 119964057
4-(morpholine-4-carbonyl)-N-(2-pyrrolidin-3-ylethyl)benzenesulfonamide;hydrochloride
CID 119976886
4-(pyrrolidin-3-ylsulfamoyl)benzamide
CID 62378636
N,N-dimethyl-4-(pyrrolidin-3-ylsulfamoyl)benzamide;hydrochloride
CID 120707602
N-methyl-4-[[(3R)-pyrrolidin-3-yl]sulfamoyl]benzamide
CID 79685787
4-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carbonyl]-N-cyclopropylbenzenesulfonamide
CID 120659862
4-(morpholine-4-carbonyl)-N-propan-2-ylbenzenesulfonamide
CID 27258350
N-[(3S)-pyrrolidin-3-yl]benzenesulfonamide
CID 79685431
lithium 4-(morpholine-4-carbonyl)benzoate
CID 142428468
4-(morpholine-4-carbonyl)benzenesulfonyl fluoride
CID 165461287

Frequently Asked Questions

What is the IUPAC name of 4-(morpholine-4-carbonyl)-N-pyrrolidin-3-ylbenzenesulfonamide;hydrochloride?
The IUPAC name of 4-(morpholine-4-carbonyl)-N-pyrrolidin-3-ylbenzenesulfonamide;hydrochloride (CID 119966760) is 4-(morpholine-4-carbonyl)-N-pyrrolidin-3-ylbenzenesulfonamide;hydrochloride.
What is the SMILES notation for 4-(morpholine-4-carbonyl)-N-pyrrolidin-3-ylbenzenesulfonamide;hydrochloride?
The canonical SMILES for 4-(morpholine-4-carbonyl)-N-pyrrolidin-3-ylbenzenesulfonamide;hydrochloride is Cl.O=C(c1ccc(S(=O)(=O)NC2CCNC2)cc1)N1CCOCC1.
What is the InChIKey of 4-(morpholine-4-carbonyl)-N-pyrrolidin-3-ylbenzenesulfonamide;hydrochloride?
The InChIKey is WDLBTMXXRJKCHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O4S.ClH/c19-15(18-7-9-22-10-8-18)12-1-3-14(4-2-12)23(20,21)17-13-5-6-16-11-13;/h1-4,13,16-17H,5-11H2;1H.
What are the key properties of 4-(morpholine-4-carbonyl)-N-pyrrolidin-3-ylbenzenesulfonamide;hydrochloride?
4-(morpholine-4-carbonyl)-N-pyrrolidin-3-ylbenzenesulfonamide;hydrochloride has a molecular weight of 375.88 g/mol, XLogP of 0.22, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(morpholine-4-carbonyl)-N-pyrrolidin-3-ylbenzenesulfonamide;hydrochloride is sourced from PubChem (CID 119966760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).