4-(morpholine-4-carbonyl)-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide

C17H25N3O4S — CID 128931008

IUPAC4-(morpholine-4-carbonyl)-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide
SMILESO=C(c1ccc(S(=O)(=O)NCCN2CCCC2)cc1)N1CCOCC1
InChIInChI=1S/C17H25N3O4S/c21-17(20-11-13-24-14-12-20)15-3-5-16(6-4-15)25(22,23)18-7-10-19-8-1-2-9-19/h3-6,18H,1-2,7-14H2
InChIKeyCBZGOQMDQLQFGX-UHFFFAOYSA-N
MW367.47 g/mol
LogP0.53
Rot. Bonds6

About 4-(morpholine-4-carbonyl)-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide

4-(morpholine-4-carbonyl)-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide (PubChem CID 128931008) has the molecular formula C17H25N3O4S and a molecular weight of 367.47 g/mol. Its IUPAC name is 4-(morpholine-4-carbonyl)-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-(morpholine-4-carbonyl)-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide
PubChem CID128931008
Molecular FormulaC17H25N3O4S
Molecular Weight367.47 g/mol
Exact Mass367.16
IUPAC Name4-(morpholine-4-carbonyl)-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide
SMILESO=C(c1ccc(S(=O)(=O)NCCN2CCCC2)cc1)N1CCOCC1
InChIInChI=1S/C17H25N3O4S/c21-17(20-11-13-24-14-12-20)15-3-5-16(6-4-15)25(22,23)18-7-10-19-8-1-2-9-19/h3-6,18H,1-2,7-14H2
InChIKeyCBZGOQMDQLQFGX-UHFFFAOYSA-N
XLogP0.53
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.47
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(2-morpholin-4-ylethylsulfamoyl)-N-propan-2-ylbenzamide
CID 109058127
N-(3-aminobutyl)-4-(morpholine-4-carbonyl)benzenesulfonamide
CID 119972328
N-[2-(2-fluorophenyl)ethyl]-4-(morpholine-4-carbonyl)benzenesulfonamide
CID 37498704
4-(morpholine-4-carbonyl)-N-propan-2-ylbenzenesulfonamide
CID 27258350
N-[2-(methylamino)propyl]-4-(morpholine-4-carbonyl)benzenesulfonamide;hydrochloride
CID 120825215
N-[2-(4-benzoylpiperazin-1-yl)ethyl]-4-methylbenzenesulfonamide
CID 86768049
N-(2-methoxyethyl)-4-(2-morpholin-4-ylethylsulfamoyl)benzamide
CID 109059683
N-(2-morpholin-4-ylethyl)-4-[4-(2-morpholin-4-ylethylsulfamoyl)phenoxy]benzenesulfonamide
CID 2908203
4-(morpholine-4-carbonyl)-N-(2-pyrrolidin-3-ylethyl)benzenesulfonamide;hydrochloride
CID 119976886
N-pentyl-4-(pyrrolidine-1-carbonyl)benzenesulfonamide
CID 109059171
4-tert-butyl-N-(2-morpholin-4-ylethyl)benzenesulfonamide;oxalic acid
CID 56603480
4-(1-hydroxyethyl)-N-(2-morpholin-4-ylethyl)benzenesulfonamide
CID 43507444

Frequently Asked Questions

What is the IUPAC name of 4-(morpholine-4-carbonyl)-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide?
The IUPAC name of 4-(morpholine-4-carbonyl)-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide (CID 128931008) is 4-(morpholine-4-carbonyl)-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide.
What is the SMILES notation for 4-(morpholine-4-carbonyl)-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide?
The canonical SMILES for 4-(morpholine-4-carbonyl)-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide is O=C(c1ccc(S(=O)(=O)NCCN2CCCC2)cc1)N1CCOCC1.
What is the InChIKey of 4-(morpholine-4-carbonyl)-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide?
The InChIKey is CBZGOQMDQLQFGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O4S/c21-17(20-11-13-24-14-12-20)15-3-5-16(6-4-15)25(22,23)18-7-10-19-8-1-2-9-19/h3-6,18H,1-2,7-14H2.
What are the key properties of 4-(morpholine-4-carbonyl)-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide?
4-(morpholine-4-carbonyl)-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide has a molecular weight of 367.47 g/mol, XLogP of 0.53, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(morpholine-4-carbonyl)-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide is sourced from PubChem (CID 128931008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).