N,N-dimethyl-4-(morpholine-4-carbonyl)benzenesulfonamide

C13H18N2O4S — CID 800700

IUPACN,N-dimethyl-4-(morpholine-4-carbonyl)benzenesulfonamide
SMILESCN(C)S(=O)(=O)c1ccc(C(=O)N2CCOCC2)cc1
InChIInChI=1S/C13H18N2O4S/c1-14(2)20(17,18)12-5-3-11(4-6-12)13(16)15-7-9-19-10-8-15/h3-6H,7-10H2,1-2H3
InChIKeyBODPUUHEIFCXBL-UHFFFAOYSA-N
MW298.36 g/mol
LogP0.41
Rot. Bonds3

About N,N-dimethyl-4-(morpholine-4-carbonyl)benzenesulfonamide

N,N-dimethyl-4-(morpholine-4-carbonyl)benzenesulfonamide (PubChem CID 800700) has the molecular formula C13H18N2O4S and a molecular weight of 298.36 g/mol. Its IUPAC name is N,N-dimethyl-4-(morpholine-4-carbonyl)benzenesulfonamide.

Molecular Properties

Compound NameN,N-dimethyl-4-(morpholine-4-carbonyl)benzenesulfonamide
PubChem CID800700
Molecular FormulaC13H18N2O4S
Molecular Weight298.36 g/mol
Exact Mass298.10
IUPAC NameN,N-dimethyl-4-(morpholine-4-carbonyl)benzenesulfonamide
SMILESCN(C)S(=O)(=O)c1ccc(C(=O)N2CCOCC2)cc1
InChIInChI=1S/C13H18N2O4S/c1-14(2)20(17,18)12-5-3-11(4-6-12)13(16)15-7-9-19-10-8-15/h3-6H,7-10H2,1-2H3
InChIKeyBODPUUHEIFCXBL-UHFFFAOYSA-N
XLogP0.41
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.36
LogP ≤ 50.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-(morpholine-4-carbonyl)benzenesulfonamide?
The IUPAC name of N,N-dimethyl-4-(morpholine-4-carbonyl)benzenesulfonamide (CID 800700) is N,N-dimethyl-4-(morpholine-4-carbonyl)benzenesulfonamide.
What is the SMILES notation for N,N-dimethyl-4-(morpholine-4-carbonyl)benzenesulfonamide?
The canonical SMILES for N,N-dimethyl-4-(morpholine-4-carbonyl)benzenesulfonamide is CN(C)S(=O)(=O)c1ccc(C(=O)N2CCOCC2)cc1.
What is the InChIKey of N,N-dimethyl-4-(morpholine-4-carbonyl)benzenesulfonamide?
The InChIKey is BODPUUHEIFCXBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4S/c1-14(2)20(17,18)12-5-3-11(4-6-12)13(16)15-7-9-19-10-8-15/h3-6H,7-10H2,1-2H3.
What are the key properties of N,N-dimethyl-4-(morpholine-4-carbonyl)benzenesulfonamide?
N,N-dimethyl-4-(morpholine-4-carbonyl)benzenesulfonamide has a molecular weight of 298.36 g/mol, XLogP of 0.41, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-(morpholine-4-carbonyl)benzenesulfonamide is sourced from PubChem (CID 800700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).