4-chloro-2,5-dimethyl-N-morpholin-4-ylbenzenesulfonamide

C12H17ClN2O3S — CID 19682540

IUPAC4-chloro-2,5-dimethyl-N-morpholin-4-ylbenzenesulfonamide
SMILESCc1cc(S(=O)(=O)NN2CCOCC2)c(C)cc1Cl
InChIInChI=1S/C12H17ClN2O3S/c1-9-8-12(10(2)7-11(9)13)19(16,17)14-15-3-5-18-6-4-15/h7-8,14H,3-6H2,1-2H3
InChIKeyJRXJOWTZMGXQBX-UHFFFAOYSA-N
MW304.80 g/mol
LogP1.48
Rot. Bonds3

About 4-chloro-2,5-dimethyl-N-morpholin-4-ylbenzenesulfonamide

4-chloro-2,5-dimethyl-N-morpholin-4-ylbenzenesulfonamide (PubChem CID 19682540) has the molecular formula C12H17ClN2O3S and a molecular weight of 304.80 g/mol. Its IUPAC name is 4-chloro-2,5-dimethyl-N-morpholin-4-ylbenzenesulfonamide.

Molecular Properties

Compound Name4-chloro-2,5-dimethyl-N-morpholin-4-ylbenzenesulfonamide
PubChem CID19682540
Molecular FormulaC12H17ClN2O3S
Molecular Weight304.80 g/mol
Exact Mass304.06
IUPAC Name4-chloro-2,5-dimethyl-N-morpholin-4-ylbenzenesulfonamide
SMILESCc1cc(S(=O)(=O)NN2CCOCC2)c(C)cc1Cl
InChIInChI=1S/C12H17ClN2O3S/c1-9-8-12(10(2)7-11(9)13)19(16,17)14-15-3-5-18-6-4-15/h7-8,14H,3-6H2,1-2H3
InChIKeyJRXJOWTZMGXQBX-UHFFFAOYSA-N
XLogP1.48
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.80
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-amino-4-chloro-2-methyl-N-piperidin-1-ylbenzenesulfonamide
CID 83013462
4-(2,4-dichloro-5-methylphenyl)sulfonylmorpholine
CID 775833
3,4-dimethyl-N-morpholin-4-ylbenzenesulfonamide
CID 19682522
4-chloro-2,5-dimethylbenzenesulfonohydrazide
CID 2799465
3-methyl-5-(morpholin-4-ylsulfamoyl)thiophene-2-carboxylic acid
CID 83005623
4-chloro-N-(4-hydroxyoxolan-3-yl)-2,5-dimethylbenzenesulfonamide
CID 156608191
4-chloro-2,5-dimethyl-N-(1-methylpiperidin-4-yl)benzenesulfonamide
CID 22772557
3-amino-2-methyl-N-morpholin-4-ylbenzenesulfonamide
CID 83012919
1-chloro-4-(4-chloro-2,5-dimethylphenyl)sulfonyl-2,5-dimethylbenzene
CID 19736981
6-amino-5-chloro-N-morpholin-4-ylpyridine-3-sulfonamide
CID 83023006
4-tert-butyl-N-morpholin-4-ylbenzenesulfonamide
CID 19682519
2-fluoro-N-morpholin-4-ylbenzenesulfonamide
CID 3535200

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2,5-dimethyl-N-morpholin-4-ylbenzenesulfonamide?
The IUPAC name of 4-chloro-2,5-dimethyl-N-morpholin-4-ylbenzenesulfonamide (CID 19682540) is 4-chloro-2,5-dimethyl-N-morpholin-4-ylbenzenesulfonamide.
What is the SMILES notation for 4-chloro-2,5-dimethyl-N-morpholin-4-ylbenzenesulfonamide?
The canonical SMILES for 4-chloro-2,5-dimethyl-N-morpholin-4-ylbenzenesulfonamide is Cc1cc(S(=O)(=O)NN2CCOCC2)c(C)cc1Cl.
What is the InChIKey of 4-chloro-2,5-dimethyl-N-morpholin-4-ylbenzenesulfonamide?
The InChIKey is JRXJOWTZMGXQBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O3S/c1-9-8-12(10(2)7-11(9)13)19(16,17)14-15-3-5-18-6-4-15/h7-8,14H,3-6H2,1-2H3.
What are the key properties of 4-chloro-2,5-dimethyl-N-morpholin-4-ylbenzenesulfonamide?
4-chloro-2,5-dimethyl-N-morpholin-4-ylbenzenesulfonamide has a molecular weight of 304.80 g/mol, XLogP of 1.48, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2,5-dimethyl-N-morpholin-4-ylbenzenesulfonamide is sourced from PubChem (CID 19682540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).