4-(morpholine-4-carbonyl)-N,N-dipropylbenzenesulfonamide

C17H26N2O4S — CID 1070318

IUPAC4-(morpholine-4-carbonyl)-N,N-dipropylbenzenesulfonamide
SMILESCCCN(CCC)S(=O)(=O)c1ccc(C(=O)N2CCOCC2)cc1
InChIInChI=1S/C17H26N2O4S/c1-3-9-19(10-4-2)24(21,22)16-7-5-15(6-8-16)17(20)18-11-13-23-14-12-18/h5-8H,3-4,9-14H2,1-2H3
InChIKeyJMEZCBAMKSNASQ-UHFFFAOYSA-N
MW354.47 g/mol
LogP1.97
Rot. Bonds7

About 4-(morpholine-4-carbonyl)-N,N-dipropylbenzenesulfonamide

4-(morpholine-4-carbonyl)-N,N-dipropylbenzenesulfonamide (PubChem CID 1070318) has the molecular formula C17H26N2O4S and a molecular weight of 354.47 g/mol. Its IUPAC name is 4-(morpholine-4-carbonyl)-N,N-dipropylbenzenesulfonamide.

Molecular Properties

Compound Name4-(morpholine-4-carbonyl)-N,N-dipropylbenzenesulfonamide
PubChem CID1070318
Molecular FormulaC17H26N2O4S
Molecular Weight354.47 g/mol
Exact Mass354.16
IUPAC Name4-(morpholine-4-carbonyl)-N,N-dipropylbenzenesulfonamide
SMILESCCCN(CCC)S(=O)(=O)c1ccc(C(=O)N2CCOCC2)cc1
InChIInChI=1S/C17H26N2O4S/c1-3-9-19(10-4-2)24(21,22)16-7-5-15(6-8-16)17(20)18-11-13-23-14-12-18/h5-8H,3-4,9-14H2,1-2H3
InChIKeyJMEZCBAMKSNASQ-UHFFFAOYSA-N
XLogP1.97
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.47
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-(morpholine-4-carbonyl)-N,N-dipropylbenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(morpholine-4-carbonyl)-N,N-dipropylbenzenesulfonamide?
The IUPAC name of 4-(morpholine-4-carbonyl)-N,N-dipropylbenzenesulfonamide (CID 1070318) is 4-(morpholine-4-carbonyl)-N,N-dipropylbenzenesulfonamide.
What is the SMILES notation for 4-(morpholine-4-carbonyl)-N,N-dipropylbenzenesulfonamide?
The canonical SMILES for 4-(morpholine-4-carbonyl)-N,N-dipropylbenzenesulfonamide is CCCN(CCC)S(=O)(=O)c1ccc(C(=O)N2CCOCC2)cc1.
What is the InChIKey of 4-(morpholine-4-carbonyl)-N,N-dipropylbenzenesulfonamide?
The InChIKey is JMEZCBAMKSNASQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O4S/c1-3-9-19(10-4-2)24(21,22)16-7-5-15(6-8-16)17(20)18-11-13-23-14-12-18/h5-8H,3-4,9-14H2,1-2H3.
What are the key properties of 4-(morpholine-4-carbonyl)-N,N-dipropylbenzenesulfonamide?
4-(morpholine-4-carbonyl)-N,N-dipropylbenzenesulfonamide has a molecular weight of 354.47 g/mol, XLogP of 1.97, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(morpholine-4-carbonyl)-N,N-dipropylbenzenesulfonamide is sourced from PubChem (CID 1070318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).