4-chloro-N-(2-methoxyethyl)-2,5-dimethyl-N-propylbenzenesulfonamide

C14H22ClNO3S — CID 3868959

IUPAC4-chloro-N-(2-methoxyethyl)-2,5-dimethyl-N-propylbenzenesulfonamide
SMILESCCCN(CCOC)S(=O)(=O)c1cc(C)c(Cl)cc1C
InChIInChI=1S/C14H22ClNO3S/c1-5-6-16(7-8-19-4)20(17,18)14-10-11(2)13(15)9-12(14)3/h9-10H,5-8H2,1-4H3
InChIKeyYRMQEPUFGBVSAO-UHFFFAOYSA-N
MW319.85 g/mol
LogP3.00
Rot. Bonds7

About 4-chloro-N-(2-methoxyethyl)-2,5-dimethyl-N-propylbenzenesulfonamide

4-chloro-N-(2-methoxyethyl)-2,5-dimethyl-N-propylbenzenesulfonamide (PubChem CID 3868959) has the molecular formula C14H22ClNO3S and a molecular weight of 319.85 g/mol. Its IUPAC name is 4-chloro-N-(2-methoxyethyl)-2,5-dimethyl-N-propylbenzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-(2-methoxyethyl)-2,5-dimethyl-N-propylbenzenesulfonamide
PubChem CID3868959
Molecular FormulaC14H22ClNO3S
Molecular Weight319.85 g/mol
Exact Mass319.10
IUPAC Name4-chloro-N-(2-methoxyethyl)-2,5-dimethyl-N-propylbenzenesulfonamide
SMILESCCCN(CCOC)S(=O)(=O)c1cc(C)c(Cl)cc1C
InChIInChI=1S/C14H22ClNO3S/c1-5-6-16(7-8-19-4)20(17,18)14-10-11(2)13(15)9-12(14)3/h9-10H,5-8H2,1-4H3
InChIKeyYRMQEPUFGBVSAO-UHFFFAOYSA-N
XLogP3.00
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.85
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-N,N-bis(2-cyanoethyl)-2,5-dimethylbenzenesulfonamide
CID 3731499
4-chloro-N-(2-hydroxyethyl)-2-methyl-5-nitro-N-propylbenzenesulfonamide
CID 81042152
2,5-dichloro-4-methoxy-N,N-dipropylbenzenesulfonamide
CID 935451
N,N-dibenzyl-4-chloro-2,5-dimethylbenzenesulfonamide
CID 3844822
N-[2-chloro-4-[2-methoxyethyl(propyl)sulfamoyl]phenyl]acetamide
CID 3684242
2,5-dichloro-N-(2-hydroxyethyl)-N-(2-methoxyethyl)thiophene-3-sulfonamide
CID 113317287
N-(3-aminopropyl)-5-fluoro-N-(2-methoxyethyl)-2-methylbenzenesulfonamide
CID 63287461
1-chloro-4-(4-chloro-2,5-dimethylphenyl)sulfonyl-2,5-dimethylbenzene
CID 19736981
ethyl 3-[(4-chloro-2,5-dimethylphenyl)sulfonyl-(furan-2-ylmethyl)amino]propanoate
CID 3381227
methyl 3-[2-methoxyethyl-(2-methylphenyl)sulfonylamino]propanoate
CID 79481278
methyl 3-[(2,5-dichlorothiophen-3-yl)sulfonyl-(2-methoxyethyl)amino]propanoate
CID 78959091
5-chloro-N-(2-cyanoethyl)-N-(2-methoxyethyl)-4-methylthiophene-2-sulfonamide
CID 103099958

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(2-methoxyethyl)-2,5-dimethyl-N-propylbenzenesulfonamide?
The IUPAC name of 4-chloro-N-(2-methoxyethyl)-2,5-dimethyl-N-propylbenzenesulfonamide (CID 3868959) is 4-chloro-N-(2-methoxyethyl)-2,5-dimethyl-N-propylbenzenesulfonamide.
What is the SMILES notation for 4-chloro-N-(2-methoxyethyl)-2,5-dimethyl-N-propylbenzenesulfonamide?
The canonical SMILES for 4-chloro-N-(2-methoxyethyl)-2,5-dimethyl-N-propylbenzenesulfonamide is CCCN(CCOC)S(=O)(=O)c1cc(C)c(Cl)cc1C.
What is the InChIKey of 4-chloro-N-(2-methoxyethyl)-2,5-dimethyl-N-propylbenzenesulfonamide?
The InChIKey is YRMQEPUFGBVSAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClNO3S/c1-5-6-16(7-8-19-4)20(17,18)14-10-11(2)13(15)9-12(14)3/h9-10H,5-8H2,1-4H3.
What are the key properties of 4-chloro-N-(2-methoxyethyl)-2,5-dimethyl-N-propylbenzenesulfonamide?
4-chloro-N-(2-methoxyethyl)-2,5-dimethyl-N-propylbenzenesulfonamide has a molecular weight of 319.85 g/mol, XLogP of 3.00, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(2-methoxyethyl)-2,5-dimethyl-N-propylbenzenesulfonamide is sourced from PubChem (CID 3868959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).