N,2,3-trimethyl-5-(morpholine-4-carbonyl)benzenesulfonamide

C14H20N2O4S — CID 27258264

IUPACN,2,3-trimethyl-5-(morpholine-4-carbonyl)benzenesulfonamide
SMILESCNS(=O)(=O)c1cc(C(=O)N2CCOCC2)cc(C)c1C
InChIInChI=1S/C14H20N2O4S/c1-10-8-12(14(17)16-4-6-20-7-5-16)9-13(11(10)2)21(18,19)15-3/h8-9,15H,4-7H2,1-3H3
InChIKeyKOCUWPNRDORZFZ-UHFFFAOYSA-N
MW312.39 g/mol
LogP0.68
Rot. Bonds3

About N,2,3-trimethyl-5-(morpholine-4-carbonyl)benzenesulfonamide

N,2,3-trimethyl-5-(morpholine-4-carbonyl)benzenesulfonamide (PubChem CID 27258264) has the molecular formula C14H20N2O4S and a molecular weight of 312.39 g/mol. Its IUPAC name is N,2,3-trimethyl-5-(morpholine-4-carbonyl)benzenesulfonamide.

Molecular Properties

Compound NameN,2,3-trimethyl-5-(morpholine-4-carbonyl)benzenesulfonamide
PubChem CID27258264
Molecular FormulaC14H20N2O4S
Molecular Weight312.39 g/mol
Exact Mass312.11
IUPAC NameN,2,3-trimethyl-5-(morpholine-4-carbonyl)benzenesulfonamide
SMILESCNS(=O)(=O)c1cc(C(=O)N2CCOCC2)cc(C)c1C
InChIInChI=1S/C14H20N2O4S/c1-10-8-12(14(17)16-4-6-20-7-5-16)9-13(11(10)2)21(18,19)15-3/h8-9,15H,4-7H2,1-3H3
InChIKeyKOCUWPNRDORZFZ-UHFFFAOYSA-N
XLogP0.68
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.39
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N,2,3-trimethyl-5-[(3R)-3-methylmorpholine-4-carbonyl]benzenesulfonamide
CID 94022775
N-methyl-2-(4-methylpiperazin-1-yl)-5-(morpholine-4-carbonyl)benzenesulfonamide
CID 99967022
5-(4-benzylpiperidine-1-carbonyl)-N,2,3-trimethylbenzenesulfonamide
CID 24639837
3-chloro-2-methyl-5-(morpholine-4-carbonyl)benzenesulfonamide
CID 65375991
5-(1-acetyl-1,4-diazaspiro[5.5]undecane-4-carbonyl)-N,2,3-trimethylbenzenesulfonamide
CID 71905599
N-[3-(dimethylamino)-2,2-dimethylpropyl]-1-[3,4-dimethyl-5-(methylsulfamoyl)benzoyl]piperidine-4-carboxamide
CID 55986906
2,3-dimethyl-5-(pyrrolidine-1-carbonyl)benzenesulfonamide
CID 47109363
(3,4-dimethylphenyl)-[4-(morpholine-4-carbonyl)piperazin-1-yl]methanone
CID 110365079
(4-chloro-3-methylsulfonylphenyl)-morpholin-4-ylmethanone
CID 26583462
2-chloro-N-(2,3-dimethylphenyl)-5-(morpholine-4-carbonyl)benzenesulfonamide
CID 1289241
(3-amino-5-fluoro-4-methylphenyl)-morpholin-4-ylmethanone
CID 54927621
3,4-dimethyl-5-(methylsulfamoyl)-N-propan-2-ylbenzamide
CID 27648157

Frequently Asked Questions

What is the IUPAC name of N,2,3-trimethyl-5-(morpholine-4-carbonyl)benzenesulfonamide?
The IUPAC name of N,2,3-trimethyl-5-(morpholine-4-carbonyl)benzenesulfonamide (CID 27258264) is N,2,3-trimethyl-5-(morpholine-4-carbonyl)benzenesulfonamide.
What is the SMILES notation for N,2,3-trimethyl-5-(morpholine-4-carbonyl)benzenesulfonamide?
The canonical SMILES for N,2,3-trimethyl-5-(morpholine-4-carbonyl)benzenesulfonamide is CNS(=O)(=O)c1cc(C(=O)N2CCOCC2)cc(C)c1C.
What is the InChIKey of N,2,3-trimethyl-5-(morpholine-4-carbonyl)benzenesulfonamide?
The InChIKey is KOCUWPNRDORZFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4S/c1-10-8-12(14(17)16-4-6-20-7-5-16)9-13(11(10)2)21(18,19)15-3/h8-9,15H,4-7H2,1-3H3.
What are the key properties of N,2,3-trimethyl-5-(morpholine-4-carbonyl)benzenesulfonamide?
N,2,3-trimethyl-5-(morpholine-4-carbonyl)benzenesulfonamide has a molecular weight of 312.39 g/mol, XLogP of 0.68, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,2,3-trimethyl-5-(morpholine-4-carbonyl)benzenesulfonamide is sourced from PubChem (CID 27258264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).