4-(morpholine-4-carbonyl)-N-piperidin-4-ylbenzenesulfonamide;hydrochloride

C16H24ClN3O4S — CID 119960379

IUPAC4-(morpholine-4-carbonyl)-N-piperidin-4-ylbenzenesulfonamide;hydrochloride
SMILESCl.O=C(c1ccc(S(=O)(=O)NC2CCNCC2)cc1)N1CCOCC1
InChIInChI=1S/C16H23N3O4S.ClH/c20-16(19-9-11-23-12-10-19)13-1-3-15(4-2-13)24(21,22)18-14-5-7-17-8-6-14;/h1-4,14,17-18H,5-12H2;1H
InChIKeyJYXZSUWMVLYRIO-UHFFFAOYSA-N
MW389.91 g/mol
LogP0.61
Rot. Bonds4

About 4-(morpholine-4-carbonyl)-N-piperidin-4-ylbenzenesulfonamide;hydrochloride

4-(morpholine-4-carbonyl)-N-piperidin-4-ylbenzenesulfonamide;hydrochloride (PubChem CID 119960379) has the molecular formula C16H24ClN3O4S and a molecular weight of 389.91 g/mol. Its IUPAC name is 4-(morpholine-4-carbonyl)-N-piperidin-4-ylbenzenesulfonamide;hydrochloride.

Molecular Properties

Compound Name4-(morpholine-4-carbonyl)-N-piperidin-4-ylbenzenesulfonamide;hydrochloride
PubChem CID119960379
Molecular FormulaC16H24ClN3O4S
Molecular Weight389.91 g/mol
Exact Mass389.12
IUPAC Name4-(morpholine-4-carbonyl)-N-piperidin-4-ylbenzenesulfonamide;hydrochloride
SMILESCl.O=C(c1ccc(S(=O)(=O)NC2CCNCC2)cc1)N1CCOCC1
InChIInChI=1S/C16H23N3O4S.ClH/c20-16(19-9-11-23-12-10-19)13-1-3-15(4-2-13)24(21,22)18-14-5-7-17-8-6-14;/h1-4,14,17-18H,5-12H2;1H
InChIKeyJYXZSUWMVLYRIO-UHFFFAOYSA-N
XLogP0.61
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.91
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(morpholine-4-carbonyl)-N-pyrrolidin-3-ylbenzenesulfonamide;hydrochloride
CID 119966760
4-(morpholine-4-carbonyl)-N-pyrrolidin-3-ylbenzenesulfonamide
CID 119966761
4-(morpholine-4-carbonyl)-N-piperidin-3-ylbenzenesulfonamide
CID 119964057
4-(morpholine-4-carbonyl)-N-(2-pyrrolidin-3-ylethyl)benzenesulfonamide;hydrochloride
CID 119976886
N-cyclopropyl-4-(3-piperazin-1-ylpyrrolidine-1-carbonyl)benzenesulfonamide
CID 120996105
morpholin-4-yl-[4-(piperidin-4-ylmethyl)phenyl]methanone;hydrochloride
CID 18539099
4-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carbonyl]-N-cyclopropylbenzenesulfonamide
CID 120659862
4-bromo-N-[1-(4-fluorobenzoyl)piperidin-4-yl]benzenesulfonamide
CID 108563657
[4-(1,4-diazepan-1-ylsulfonyl)phenyl]-morpholin-4-ylmethanone;hydrochloride
CID 119963161
4-(morpholine-4-carbonyl)-N-propan-2-ylbenzenesulfonamide
CID 27258350
N-[2-(methylamino)propyl]-4-(morpholine-4-carbonyl)benzenesulfonamide;hydrochloride
CID 120825215
lithium 4-(morpholine-4-carbonyl)benzoate
CID 142428468

Frequently Asked Questions

What is the IUPAC name of 4-(morpholine-4-carbonyl)-N-piperidin-4-ylbenzenesulfonamide;hydrochloride?
The IUPAC name of 4-(morpholine-4-carbonyl)-N-piperidin-4-ylbenzenesulfonamide;hydrochloride (CID 119960379) is 4-(morpholine-4-carbonyl)-N-piperidin-4-ylbenzenesulfonamide;hydrochloride.
What is the SMILES notation for 4-(morpholine-4-carbonyl)-N-piperidin-4-ylbenzenesulfonamide;hydrochloride?
The canonical SMILES for 4-(morpholine-4-carbonyl)-N-piperidin-4-ylbenzenesulfonamide;hydrochloride is Cl.O=C(c1ccc(S(=O)(=O)NC2CCNCC2)cc1)N1CCOCC1.
What is the InChIKey of 4-(morpholine-4-carbonyl)-N-piperidin-4-ylbenzenesulfonamide;hydrochloride?
The InChIKey is JYXZSUWMVLYRIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O4S.ClH/c20-16(19-9-11-23-12-10-19)13-1-3-15(4-2-13)24(21,22)18-14-5-7-17-8-6-14;/h1-4,14,17-18H,5-12H2;1H.
What are the key properties of 4-(morpholine-4-carbonyl)-N-piperidin-4-ylbenzenesulfonamide;hydrochloride?
4-(morpholine-4-carbonyl)-N-piperidin-4-ylbenzenesulfonamide;hydrochloride has a molecular weight of 389.91 g/mol, XLogP of 0.61, 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-piperidin-4-ylbenzenesulfonamide;hydrochloride is sourced from PubChem (CID 119960379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).