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

C20H24N2O4S — CID 1260713

IUPACN-(2,3-dimethylphenyl)-2-methyl-5-(morpholine-4-carbonyl)benzenesulfonamide
SMILESCc1ccc(C(=O)N2CCOCC2)cc1S(=O)(=O)Nc1cccc(C)c1C
InChIInChI=1S/C20H24N2O4S/c1-14-5-4-6-18(16(14)3)21-27(24,25)19-13-17(8-7-15(19)2)20(23)22-9-11-26-12-10-22/h4-8,13,21H,9-12H2,1-3H3
InChIKeyMBLNGRIBJFYYBR-UHFFFAOYSA-N
MW388.49 g/mol
LogP2.89
Rot. Bonds4

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

N-(2,3-dimethylphenyl)-2-methyl-5-(morpholine-4-carbonyl)benzenesulfonamide (PubChem CID 1260713) has the molecular formula C20H24N2O4S and a molecular weight of 388.49 g/mol. Its IUPAC name is N-(2,3-dimethylphenyl)-2-methyl-5-(morpholine-4-carbonyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(2,3-dimethylphenyl)-2-methyl-5-(morpholine-4-carbonyl)benzenesulfonamide
PubChem CID1260713
Molecular FormulaC20H24N2O4S
Molecular Weight388.49 g/mol
Exact Mass388.15
IUPAC NameN-(2,3-dimethylphenyl)-2-methyl-5-(morpholine-4-carbonyl)benzenesulfonamide
SMILESCc1ccc(C(=O)N2CCOCC2)cc1S(=O)(=O)Nc1cccc(C)c1C
InChIInChI=1S/C20H24N2O4S/c1-14-5-4-6-18(16(14)3)21-27(24,25)19-13-17(8-7-15(19)2)20(23)22-9-11-26-12-10-22/h4-8,13,21H,9-12H2,1-3H3
InChIKeyMBLNGRIBJFYYBR-UHFFFAOYSA-N
XLogP2.89
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 ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylphenyl)-2-methyl-5-(morpholine-4-carbonyl)benzenesulfonamide?
The IUPAC name of N-(2,3-dimethylphenyl)-2-methyl-5-(morpholine-4-carbonyl)benzenesulfonamide (CID 1260713) is N-(2,3-dimethylphenyl)-2-methyl-5-(morpholine-4-carbonyl)benzenesulfonamide.
What is the SMILES notation for N-(2,3-dimethylphenyl)-2-methyl-5-(morpholine-4-carbonyl)benzenesulfonamide?
The canonical SMILES for N-(2,3-dimethylphenyl)-2-methyl-5-(morpholine-4-carbonyl)benzenesulfonamide is Cc1ccc(C(=O)N2CCOCC2)cc1S(=O)(=O)Nc1cccc(C)c1C.
What is the InChIKey of N-(2,3-dimethylphenyl)-2-methyl-5-(morpholine-4-carbonyl)benzenesulfonamide?
The InChIKey is MBLNGRIBJFYYBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O4S/c1-14-5-4-6-18(16(14)3)21-27(24,25)19-13-17(8-7-15(19)2)20(23)22-9-11-26-12-10-22/h4-8,13,21H,9-12H2,1-3H3.
What are the key properties of N-(2,3-dimethylphenyl)-2-methyl-5-(morpholine-4-carbonyl)benzenesulfonamide?
N-(2,3-dimethylphenyl)-2-methyl-5-(morpholine-4-carbonyl)benzenesulfonamide has a molecular weight of 388.49 g/mol, XLogP of 2.89, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylphenyl)-2-methyl-5-(morpholine-4-carbonyl)benzenesulfonamide is sourced from PubChem (CID 1260713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).