N-(3,4-dimethylphenyl)-3-(morpholine-4-carbonyl)benzenesulfonamide

C19H22N2O4S — CID 110677166

IUPACN-(3,4-dimethylphenyl)-3-(morpholine-4-carbonyl)benzenesulfonamide
SMILESCc1ccc(NS(=O)(=O)c2cccc(C(=O)N3CCOCC3)c2)cc1C
InChIInChI=1S/C19H22N2O4S/c1-14-6-7-17(12-15(14)2)20-26(23,24)18-5-3-4-16(13-18)19(22)21-8-10-25-11-9-21/h3-7,12-13,20H,8-11H2,1-2H3
InChIKeySSJCZRLXEBVPLC-UHFFFAOYSA-N
MW374.46 g/mol
LogP2.58
Rot. Bonds4

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

N-(3,4-dimethylphenyl)-3-(morpholine-4-carbonyl)benzenesulfonamide (PubChem CID 110677166) has the molecular formula C19H22N2O4S and a molecular weight of 374.46 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-3-(morpholine-4-carbonyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-3-(morpholine-4-carbonyl)benzenesulfonamide
PubChem CID110677166
Molecular FormulaC19H22N2O4S
Molecular Weight374.46 g/mol
Exact Mass374.13
IUPAC NameN-(3,4-dimethylphenyl)-3-(morpholine-4-carbonyl)benzenesulfonamide
SMILESCc1ccc(NS(=O)(=O)c2cccc(C(=O)N3CCOCC3)c2)cc1C
InChIInChI=1S/C19H22N2O4S/c1-14-6-7-17(12-15(14)2)20-26(23,24)18-5-3-4-16(13-18)19(22)21-8-10-25-11-9-21/h3-7,12-13,20H,8-11H2,1-2H3
InChIKeySSJCZRLXEBVPLC-UHFFFAOYSA-N
XLogP2.58
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.46
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,4-difluorophenyl)-3-(morpholine-4-carbonyl)benzenesulfonamide
CID 109063896
N-(4-chlorophenyl)-3-(morpholine-4-carbonyl)benzenesulfonamide
CID 26583510
N-(2-methyl-4-pyridinyl)-3-(morpholine-4-carbonyl)benzenesulfonamide
CID 110677176
2,5-dimethyl-N-[3-(morpholine-4-carbonyl)phenyl]benzenesulfonamide
CID 30684576
3-(methanesulfonamido)-2,4-dimethyl-N-[3-(morpholine-4-carbonyl)phenyl]benzenesulfonamide
CID 5301690
N-(4-methylphenyl)-3-(piperidine-1-carbonyl)benzenesulfonamide
CID 2361079
N-(3-methylphenyl)-3-(pyrrolidine-1-carbonyl)benzenesulfonamide
CID 24981729
3-(azocane-1-carbonyl)-N-(4-methylphenyl)benzenesulfonamide
CID 24982887
3-[(4-methyl-3-morpholin-4-ylsulfinylphenyl)sulfamoyl]benzoic acid
CID 135242432
methane;(3-methylsulfonylphenyl)-morpholin-4-ylmethanone
CID 144625239
4-fluoro-3-methyl-N-[4-(morpholine-4-carbonyl)phenyl]benzenesulfonamide
CID 26583543
4-chloro-N-(3-chloro-4-methylphenyl)-3-(morpholine-4-carbonyl)benzenesulfonamide
CID 27258307

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-3-(morpholine-4-carbonyl)benzenesulfonamide?
The IUPAC name of N-(3,4-dimethylphenyl)-3-(morpholine-4-carbonyl)benzenesulfonamide (CID 110677166) is N-(3,4-dimethylphenyl)-3-(morpholine-4-carbonyl)benzenesulfonamide.
What is the SMILES notation for N-(3,4-dimethylphenyl)-3-(morpholine-4-carbonyl)benzenesulfonamide?
The canonical SMILES for N-(3,4-dimethylphenyl)-3-(morpholine-4-carbonyl)benzenesulfonamide is Cc1ccc(NS(=O)(=O)c2cccc(C(=O)N3CCOCC3)c2)cc1C.
What is the InChIKey of N-(3,4-dimethylphenyl)-3-(morpholine-4-carbonyl)benzenesulfonamide?
The InChIKey is SSJCZRLXEBVPLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O4S/c1-14-6-7-17(12-15(14)2)20-26(23,24)18-5-3-4-16(13-18)19(22)21-8-10-25-11-9-21/h3-7,12-13,20H,8-11H2,1-2H3.
What are the key properties of N-(3,4-dimethylphenyl)-3-(morpholine-4-carbonyl)benzenesulfonamide?
N-(3,4-dimethylphenyl)-3-(morpholine-4-carbonyl)benzenesulfonamide has a molecular weight of 374.46 g/mol, XLogP of 2.58, 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)-3-(morpholine-4-carbonyl)benzenesulfonamide is sourced from PubChem (CID 110677166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).