N-(3,4-dimethylphenyl)-4-(2-methylmorpholine-4-carbonyl)benzenesulfonamide

C20H24N2O4S — CID 46674476

IUPACN-(3,4-dimethylphenyl)-4-(2-methylmorpholine-4-carbonyl)benzenesulfonamide
SMILESCc1ccc(NS(=O)(=O)c2ccc(C(=O)N3CCOC(C)C3)cc2)cc1C
InChIInChI=1S/C20H24N2O4S/c1-14-4-7-18(12-15(14)2)21-27(24,25)19-8-5-17(6-9-19)20(23)22-10-11-26-16(3)13-22/h4-9,12,16,21H,10-11,13H2,1-3H3
InChIKeyHMVVIFOKJGYYLD-UHFFFAOYSA-N
MW388.49 g/mol
LogP2.97
Rot. Bonds4

About N-(3,4-dimethylphenyl)-4-(2-methylmorpholine-4-carbonyl)benzenesulfonamide

N-(3,4-dimethylphenyl)-4-(2-methylmorpholine-4-carbonyl)benzenesulfonamide (PubChem CID 46674476) has the molecular formula C20H24N2O4S and a molecular weight of 388.49 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-4-(2-methylmorpholine-4-carbonyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-4-(2-methylmorpholine-4-carbonyl)benzenesulfonamide
PubChem CID46674476
Molecular FormulaC20H24N2O4S
Molecular Weight388.49 g/mol
Exact Mass388.15
IUPAC NameN-(3,4-dimethylphenyl)-4-(2-methylmorpholine-4-carbonyl)benzenesulfonamide
SMILESCc1ccc(NS(=O)(=O)c2ccc(C(=O)N3CCOC(C)C3)cc2)cc1C
InChIInChI=1S/C20H24N2O4S/c1-14-4-7-18(12-15(14)2)21-27(24,25)19-8-5-17(6-9-19)20(23)22-10-11-26-16(3)13-22/h4-9,12,16,21H,10-11,13H2,1-3H3
InChIKeyHMVVIFOKJGYYLD-UHFFFAOYSA-N
XLogP2.97
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.49
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(2R)-2-methylmorpholine-4-carbonyl]-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide
CID 41247466
4-bromo-N-[3-(2-methylmorpholine-4-carbonyl)phenyl]benzenesulfonamide
CID 46674523
N-[4-(2-methylmorpholine-4-carbonyl)phenyl]methanesulfonamide
CID 46510193
N-(2-methoxyphenyl)-4-(2-methylmorpholine-4-carbonyl)benzenesulfonamide
CID 46687768
5-ethyl-N-[4-(2-methylmorpholine-4-carbonyl)phenyl]thiophene-2-sulfonamide
CID 110352750
[4-(methylamino)phenyl]-(2-methylmorpholin-4-yl)methanone
CID 62173081
N-(3,4-dimethylphenyl)-3-(morpholine-4-carbonyl)benzenesulfonamide
CID 110677166
N,4-dimethyl-3-[(2S)-2-methylmorpholine-4-carbonyl]benzenesulfonamide
CID 94538564
4-chloro-3-(2-methylmorpholine-4-carbonyl)-N-(4-methylsulfonylphenyl)benzenesulfonamide
CID 24575619
N-[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]-4-fluoro-3-methylbenzenesulfonamide
CID 24979496
N-[(3R)-1-[4-[(3,4-dimethylphenyl)sulfonylamino]benzoyl]piperidin-3-yl]acetamide
CID 52507139
N-[4-(3-methylpiperidine-1-carbonyl)phenyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 18160416

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-4-(2-methylmorpholine-4-carbonyl)benzenesulfonamide?
The IUPAC name of N-(3,4-dimethylphenyl)-4-(2-methylmorpholine-4-carbonyl)benzenesulfonamide (CID 46674476) is N-(3,4-dimethylphenyl)-4-(2-methylmorpholine-4-carbonyl)benzenesulfonamide.
What is the SMILES notation for N-(3,4-dimethylphenyl)-4-(2-methylmorpholine-4-carbonyl)benzenesulfonamide?
The canonical SMILES for N-(3,4-dimethylphenyl)-4-(2-methylmorpholine-4-carbonyl)benzenesulfonamide is Cc1ccc(NS(=O)(=O)c2ccc(C(=O)N3CCOC(C)C3)cc2)cc1C.
What is the InChIKey of N-(3,4-dimethylphenyl)-4-(2-methylmorpholine-4-carbonyl)benzenesulfonamide?
The InChIKey is HMVVIFOKJGYYLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O4S/c1-14-4-7-18(12-15(14)2)21-27(24,25)19-8-5-17(6-9-19)20(23)22-10-11-26-16(3)13-22/h4-9,12,16,21H,10-11,13H2,1-3H3.
What are the key properties of N-(3,4-dimethylphenyl)-4-(2-methylmorpholine-4-carbonyl)benzenesulfonamide?
N-(3,4-dimethylphenyl)-4-(2-methylmorpholine-4-carbonyl)benzenesulfonamide has a molecular weight of 388.49 g/mol, XLogP of 2.97, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylphenyl)-4-(2-methylmorpholine-4-carbonyl)benzenesulfonamide is sourced from PubChem (CID 46674476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).