N,N,2-trimethyl-5-(2-methylmorpholine-4-carbonyl)benzenesulfonamide

C15H22N2O4S — CID 110292445

IUPACN,N,2-trimethyl-5-(2-methylmorpholine-4-carbonyl)benzenesulfonamide
SMILESCc1ccc(C(=O)N2CCOC(C)C2)cc1S(=O)(=O)N(C)C
InChIInChI=1S/C15H22N2O4S/c1-11-5-6-13(9-14(11)22(19,20)16(3)4)15(18)17-7-8-21-12(2)10-17/h5-6,9,12H,7-8,10H2,1-4H3
InChIKeyCOFTYINEGBNQBX-UHFFFAOYSA-N
MW326.42 g/mol
LogP1.11
Rot. Bonds3

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

N,N,2-trimethyl-5-(2-methylmorpholine-4-carbonyl)benzenesulfonamide (PubChem CID 110292445) has the molecular formula C15H22N2O4S and a molecular weight of 326.42 g/mol. Its IUPAC name is N,N,2-trimethyl-5-(2-methylmorpholine-4-carbonyl)benzenesulfonamide.

Molecular Properties

Compound NameN,N,2-trimethyl-5-(2-methylmorpholine-4-carbonyl)benzenesulfonamide
PubChem CID110292445
Molecular FormulaC15H22N2O4S
Molecular Weight326.42 g/mol
Exact Mass326.13
IUPAC NameN,N,2-trimethyl-5-(2-methylmorpholine-4-carbonyl)benzenesulfonamide
SMILESCc1ccc(C(=O)N2CCOC(C)C2)cc1S(=O)(=O)N(C)C
InChIInChI=1S/C15H22N2O4S/c1-11-5-6-13(9-14(11)22(19,20)16(3)4)15(18)17-7-8-21-12(2)10-17/h5-6,9,12H,7-8,10H2,1-4H3
InChIKeyCOFTYINEGBNQBX-UHFFFAOYSA-N
XLogP1.11
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.42
LogP ≤ 51.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N,N,2,3-tetramethyl-5-[(2R)-2-methylmorpholine-4-carbonyl]benzenesulfonamide
CID 42000467
N,N-dimethyl-3-(2-methylmorpholine-4-carbonyl)benzenesulfonamide
CID 51293136
5-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine-4-carbonyl)-N,N,2-trimethylbenzenesulfonamide
CID 110312395
N,N,2-trimethyl-5-(1-oxo-1,4-thiazinane-4-carbonyl)benzenesulfonamide
CID 110721530
(4-methoxy-3-methylsulfonylphenyl)-(2-methylmorpholin-4-yl)methanone
CID 110631332
ethyl 4-[3-(dimethylsulfamoyl)-4-methylbenzoyl]piperazine-1-carboxylate
CID 110295888
(3-bromo-4-methylphenyl)-(2-methyl-1,4-oxazepan-4-yl)methanone
CID 79459484
N-(3,4-dimethylphenyl)-4-(2-methylmorpholine-4-carbonyl)benzenesulfonamide
CID 46674476
(6-bromonaphthalen-2-yl)-(2-methylmorpholin-4-yl)methanone
CID 115283093
3-(2-ethylmorpholine-4-carbonyl)-N,N-dimethylbenzenesulfonamide
CID 43070657
(3-bromo-4-iodophenyl)-[(2R)-2-methylmorpholin-4-yl]methanone
CID 172647300
N-[4-(2-methylmorpholine-4-carbonyl)phenyl]methanesulfonamide
CID 46510193

Frequently Asked Questions

What is the IUPAC name of N,N,2-trimethyl-5-(2-methylmorpholine-4-carbonyl)benzenesulfonamide?
The IUPAC name of N,N,2-trimethyl-5-(2-methylmorpholine-4-carbonyl)benzenesulfonamide (CID 110292445) is N,N,2-trimethyl-5-(2-methylmorpholine-4-carbonyl)benzenesulfonamide.
What is the SMILES notation for N,N,2-trimethyl-5-(2-methylmorpholine-4-carbonyl)benzenesulfonamide?
The canonical SMILES for N,N,2-trimethyl-5-(2-methylmorpholine-4-carbonyl)benzenesulfonamide is Cc1ccc(C(=O)N2CCOC(C)C2)cc1S(=O)(=O)N(C)C.
What is the InChIKey of N,N,2-trimethyl-5-(2-methylmorpholine-4-carbonyl)benzenesulfonamide?
The InChIKey is COFTYINEGBNQBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4S/c1-11-5-6-13(9-14(11)22(19,20)16(3)4)15(18)17-7-8-21-12(2)10-17/h5-6,9,12H,7-8,10H2,1-4H3.
What are the key properties of N,N,2-trimethyl-5-(2-methylmorpholine-4-carbonyl)benzenesulfonamide?
N,N,2-trimethyl-5-(2-methylmorpholine-4-carbonyl)benzenesulfonamide has a molecular weight of 326.42 g/mol, XLogP of 1.11, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,2-trimethyl-5-(2-methylmorpholine-4-carbonyl)benzenesulfonamide is sourced from PubChem (CID 110292445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).