2,5-dimethyl-N-[3-(morpholine-4-carbonyl)phenyl]benzenesulfonamide

C19H22N2O4S — CID 30684576

IUPAC2,5-dimethyl-N-[3-(morpholine-4-carbonyl)phenyl]benzenesulfonamide
SMILESCc1ccc(C)c(S(=O)(=O)Nc2cccc(C(=O)N3CCOCC3)c2)c1
InChIInChI=1S/C19H22N2O4S/c1-14-6-7-15(2)18(12-14)26(23,24)20-17-5-3-4-16(13-17)19(22)21-8-10-25-11-9-21/h3-7,12-13,20H,8-11H2,1-2H3
InChIKeyAZXQKQFAJWNDHM-UHFFFAOYSA-N
MW374.46 g/mol
LogP2.58
Rot. Bonds4

About 2,5-dimethyl-N-[3-(morpholine-4-carbonyl)phenyl]benzenesulfonamide

2,5-dimethyl-N-[3-(morpholine-4-carbonyl)phenyl]benzenesulfonamide (PubChem CID 30684576) has the molecular formula C19H22N2O4S and a molecular weight of 374.46 g/mol. Its IUPAC name is 2,5-dimethyl-N-[3-(morpholine-4-carbonyl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name2,5-dimethyl-N-[3-(morpholine-4-carbonyl)phenyl]benzenesulfonamide
PubChem CID30684576
Molecular FormulaC19H22N2O4S
Molecular Weight374.46 g/mol
Exact Mass374.13
IUPAC Name2,5-dimethyl-N-[3-(morpholine-4-carbonyl)phenyl]benzenesulfonamide
SMILESCc1ccc(C)c(S(=O)(=O)Nc2cccc(C(=O)N3CCOCC3)c2)c1
InChIInChI=1S/C19H22N2O4S/c1-14-6-7-15(2)18(12-14)26(23,24)20-17-5-3-4-16(13-17)19(22)21-8-10-25-11-9-21/h3-7,12-13,20H,8-11H2,1-2H3
InChIKeyAZXQKQFAJWNDHM-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

3-(methanesulfonamido)-2,4-dimethyl-N-[3-(morpholine-4-carbonyl)phenyl]benzenesulfonamide
CID 5301690
N-(3,4-dimethylphenyl)-3-(morpholine-4-carbonyl)benzenesulfonamide
CID 110677166
2-methyl-N-(3-methylphenyl)-5-(4-methylpiperazine-1-carbonyl)benzenesulfonamide
CID 2236821
2,5-dimethyl-N-[2-(morpholine-4-carbonyl)phenyl]benzenesulfonamide
CID 24663235
N-[4-(azepane-1-carbonyl)phenyl]-2,5-dimethylbenzenesulfonamide
CID 7908023
ethyl 4-[4-methyl-3-[(3-methylphenyl)sulfamoyl]benzoyl]piperazine-1-carboxylate
CID 35743469
5-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-2-methyl-N-(3-methylphenyl)benzenesulfonamide
CID 2982299
N-(3-chlorophenyl)-2-methyl-5-(piperidine-1-carbonyl)benzenesulfonamide
CID 9314553
4-methyl-3-[(3-morpholin-4-ylphenyl)sulfamoyl]benzoic acid
CID 51121483
2-methyl-N-phenyl-5-(piperidine-1-carbonyl)benzenesulfonamide
CID 3330088
4-[3-[(2,5-dimethylphenyl)sulfonylamino]benzoyl]thiomorpholine-3-carboxamide
CID 171822702
N-[4-(4-hydroxypiperidine-1-carbonyl)phenyl]-2,5-dimethylbenzenesulfonamide
CID 134014781

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N-[3-(morpholine-4-carbonyl)phenyl]benzenesulfonamide?
The IUPAC name of 2,5-dimethyl-N-[3-(morpholine-4-carbonyl)phenyl]benzenesulfonamide (CID 30684576) is 2,5-dimethyl-N-[3-(morpholine-4-carbonyl)phenyl]benzenesulfonamide.
What is the SMILES notation for 2,5-dimethyl-N-[3-(morpholine-4-carbonyl)phenyl]benzenesulfonamide?
The canonical SMILES for 2,5-dimethyl-N-[3-(morpholine-4-carbonyl)phenyl]benzenesulfonamide is Cc1ccc(C)c(S(=O)(=O)Nc2cccc(C(=O)N3CCOCC3)c2)c1.
What is the InChIKey of 2,5-dimethyl-N-[3-(morpholine-4-carbonyl)phenyl]benzenesulfonamide?
The InChIKey is AZXQKQFAJWNDHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O4S/c1-14-6-7-15(2)18(12-14)26(23,24)20-17-5-3-4-16(13-17)19(22)21-8-10-25-11-9-21/h3-7,12-13,20H,8-11H2,1-2H3.
What are the key properties of 2,5-dimethyl-N-[3-(morpholine-4-carbonyl)phenyl]benzenesulfonamide?
2,5-dimethyl-N-[3-(morpholine-4-carbonyl)phenyl]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 2,5-dimethyl-N-[3-(morpholine-4-carbonyl)phenyl]benzenesulfonamide is sourced from PubChem (CID 30684576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).