4-(morpholine-4-carbonyl)-N-(2-pyrrolidin-3-ylethyl)benzenesulfonamide;hydrochloride

C17H26ClN3O4S — CID 119976886

IUPAC4-(morpholine-4-carbonyl)-N-(2-pyrrolidin-3-ylethyl)benzenesulfonamide;hydrochloride
SMILESCl.O=C(c1ccc(S(=O)(=O)NCCC2CCNC2)cc1)N1CCOCC1
InChIInChI=1S/C17H25N3O4S.ClH/c21-17(20-9-11-24-12-10-20)15-1-3-16(4-2-15)25(22,23)19-8-6-14-5-7-18-13-14;/h1-4,14,18-19H,5-13H2;1H
InChIKeyLFMVAYQHVRQDTP-UHFFFAOYSA-N
MW403.93 g/mol
LogP0.86
Rot. Bonds6

About 4-(morpholine-4-carbonyl)-N-(2-pyrrolidin-3-ylethyl)benzenesulfonamide;hydrochloride

4-(morpholine-4-carbonyl)-N-(2-pyrrolidin-3-ylethyl)benzenesulfonamide;hydrochloride (PubChem CID 119976886) has the molecular formula C17H26ClN3O4S and a molecular weight of 403.93 g/mol. Its IUPAC name is 4-(morpholine-4-carbonyl)-N-(2-pyrrolidin-3-ylethyl)benzenesulfonamide;hydrochloride.

Molecular Properties

Compound Name4-(morpholine-4-carbonyl)-N-(2-pyrrolidin-3-ylethyl)benzenesulfonamide;hydrochloride
PubChem CID119976886
Molecular FormulaC17H26ClN3O4S
Molecular Weight403.93 g/mol
Exact Mass403.13
IUPAC Name4-(morpholine-4-carbonyl)-N-(2-pyrrolidin-3-ylethyl)benzenesulfonamide;hydrochloride
SMILESCl.O=C(c1ccc(S(=O)(=O)NCCC2CCNC2)cc1)N1CCOCC1
InChIInChI=1S/C17H25N3O4S.ClH/c21-17(20-9-11-24-12-10-20)15-1-3-16(4-2-15)25(22,23)19-8-6-14-5-7-18-13-14;/h1-4,14,18-19H,5-13H2;1H
InChIKeyLFMVAYQHVRQDTP-UHFFFAOYSA-N
XLogP0.86
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.93
LogP ≤ 50.86
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-4-ylbenzenesulfonamide;hydrochloride
CID 119960379
4-(morpholine-4-carbonyl)-N-piperidin-3-ylbenzenesulfonamide
CID 119964057
4-chloro-N-(2-pyrrolidin-3-ylethyl)benzenesulfonamide;hydrochloride
CID 119976932
4-(morpholine-4-carbonyl)-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide
CID 128931008
N-[4-(2-pyrrolidin-3-ylethylsulfamoyl)phenyl]propanamide;hydrochloride
CID 119977058
N-[2-(2-pyrrolidin-3-ylethylsulfamoyl)ethyl]benzenesulfonamide
CID 119977448
N-(3-aminobutyl)-4-(morpholine-4-carbonyl)benzenesulfonamide
CID 119972328
morpholin-4-yl-[4-(piperidin-4-ylmethyl)phenyl]methanone;hydrochloride
CID 18539099
N-[2-[1-(4-fluorobenzoyl)piperidin-4-yl]ethyl]benzenesulfonamide
CID 46379013
N-[2-(1-benzoylpiperidin-4-yl)ethyl]-4-fluorobenzenesulfonamide
CID 53103835

Frequently Asked Questions

What is the IUPAC name of 4-(morpholine-4-carbonyl)-N-(2-pyrrolidin-3-ylethyl)benzenesulfonamide;hydrochloride?
The IUPAC name of 4-(morpholine-4-carbonyl)-N-(2-pyrrolidin-3-ylethyl)benzenesulfonamide;hydrochloride (CID 119976886) is 4-(morpholine-4-carbonyl)-N-(2-pyrrolidin-3-ylethyl)benzenesulfonamide;hydrochloride.
What is the SMILES notation for 4-(morpholine-4-carbonyl)-N-(2-pyrrolidin-3-ylethyl)benzenesulfonamide;hydrochloride?
The canonical SMILES for 4-(morpholine-4-carbonyl)-N-(2-pyrrolidin-3-ylethyl)benzenesulfonamide;hydrochloride is Cl.O=C(c1ccc(S(=O)(=O)NCCC2CCNC2)cc1)N1CCOCC1.
What is the InChIKey of 4-(morpholine-4-carbonyl)-N-(2-pyrrolidin-3-ylethyl)benzenesulfonamide;hydrochloride?
The InChIKey is LFMVAYQHVRQDTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O4S.ClH/c21-17(20-9-11-24-12-10-20)15-1-3-16(4-2-15)25(22,23)19-8-6-14-5-7-18-13-14;/h1-4,14,18-19H,5-13H2;1H.
What are the key properties of 4-(morpholine-4-carbonyl)-N-(2-pyrrolidin-3-ylethyl)benzenesulfonamide;hydrochloride?
4-(morpholine-4-carbonyl)-N-(2-pyrrolidin-3-ylethyl)benzenesulfonamide;hydrochloride has a molecular weight of 403.93 g/mol, XLogP of 0.86, 6 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-(2-pyrrolidin-3-ylethyl)benzenesulfonamide;hydrochloride is sourced from PubChem (CID 119976886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).