3-chloro-N-[2-(diethylamino)propyl]-4-methoxybenzenesulfonamide

C14H23ClN2O3S — CID 112502230

IUPAC3-chloro-N-[2-(diethylamino)propyl]-4-methoxybenzenesulfonamide
SMILESCCN(CC)C(C)CNS(=O)(=O)c1ccc(OC)c(Cl)c1
InChIInChI=1S/C14H23ClN2O3S/c1-5-17(6-2)11(3)10-16-21(18,19)12-7-8-14(20-4)13(15)9-12/h7-9,11,16H,5-6,10H2,1-4H3
InChIKeyWEKLLIYUBAIIPZ-UHFFFAOYSA-N
MW334.87 g/mol
LogP2.36
Rot. Bonds8

About 3-chloro-N-[2-(diethylamino)propyl]-4-methoxybenzenesulfonamide

3-chloro-N-[2-(diethylamino)propyl]-4-methoxybenzenesulfonamide (PubChem CID 112502230) has the molecular formula C14H23ClN2O3S and a molecular weight of 334.87 g/mol. Its IUPAC name is 3-chloro-N-[2-(diethylamino)propyl]-4-methoxybenzenesulfonamide.

Molecular Properties

Compound Name3-chloro-N-[2-(diethylamino)propyl]-4-methoxybenzenesulfonamide
PubChem CID112502230
Molecular FormulaC14H23ClN2O3S
Molecular Weight334.87 g/mol
Exact Mass334.11
IUPAC Name3-chloro-N-[2-(diethylamino)propyl]-4-methoxybenzenesulfonamide
SMILESCCN(CC)C(C)CNS(=O)(=O)c1ccc(OC)c(Cl)c1
InChIInChI=1S/C14H23ClN2O3S/c1-5-17(6-2)11(3)10-16-21(18,19)12-7-8-14(20-4)13(15)9-12/h7-9,11,16H,5-6,10H2,1-4H3
InChIKeyWEKLLIYUBAIIPZ-UHFFFAOYSA-N
XLogP2.36
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.87
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-4-methoxy-N-(2-methylpropyl)benzenesulfonamide
CID 37477959
3-chloro-4-methoxy-N-[(2S)-2-phenylpropyl]benzenesulfonamide
CID 37498470
3-chloro-N-(3-ethyl-2-hydroxypentyl)-4-methoxybenzenesulfonamide
CID 103835165
2-[(3-chloro-4-methoxyphenyl)sulfonylamino]-N-(2-methylpropyl)acetamide
CID 49244513
N-[2-[butan-2-yl(methylsulfonyl)amino]ethyl]-3-chloro-4-methoxybenzenesulfonamide
CID 113065672
3-chloro-N-(2-hydroxy-4,4-dimethylpentyl)-4-methoxybenzenesulfonamide
CID 103835507
4-[(3-chloro-4-methoxyphenyl)sulfonylamino]-3-methoxybutanoic acid
CID 103153478
3-chloro-4-methoxy-N-[2-methoxy-2-(3-methoxyphenyl)ethyl]benzenesulfonamide
CID 73168543
3-chloro-4-methoxy-N-[(2S)-2-methoxy-2-(5-methylthiophen-2-yl)ethyl]benzenesulfonamide
CID 97417524
N-[2-(diethylamino)propyl]-4-methylsulfonylbenzenesulfonamide
CID 42960034
3-chloro-4-methoxy-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]benzenesulfonamide
CID 110403190
3-chloro-N-(2-ethyl-2-hydroxybutyl)-4-methoxybenzenesulfonamide
CID 65113185

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[2-(diethylamino)propyl]-4-methoxybenzenesulfonamide?
The IUPAC name of 3-chloro-N-[2-(diethylamino)propyl]-4-methoxybenzenesulfonamide (CID 112502230) is 3-chloro-N-[2-(diethylamino)propyl]-4-methoxybenzenesulfonamide.
What is the SMILES notation for 3-chloro-N-[2-(diethylamino)propyl]-4-methoxybenzenesulfonamide?
The canonical SMILES for 3-chloro-N-[2-(diethylamino)propyl]-4-methoxybenzenesulfonamide is CCN(CC)C(C)CNS(=O)(=O)c1ccc(OC)c(Cl)c1.
What is the InChIKey of 3-chloro-N-[2-(diethylamino)propyl]-4-methoxybenzenesulfonamide?
The InChIKey is WEKLLIYUBAIIPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23ClN2O3S/c1-5-17(6-2)11(3)10-16-21(18,19)12-7-8-14(20-4)13(15)9-12/h7-9,11,16H,5-6,10H2,1-4H3.
What are the key properties of 3-chloro-N-[2-(diethylamino)propyl]-4-methoxybenzenesulfonamide?
3-chloro-N-[2-(diethylamino)propyl]-4-methoxybenzenesulfonamide has a molecular weight of 334.87 g/mol, XLogP of 2.36, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[2-(diethylamino)propyl]-4-methoxybenzenesulfonamide is sourced from PubChem (CID 112502230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).