3-chloro-N,4-diethylbenzenesulfonamide

C10H14ClNO2S — CID 165445797

IUPAC3-chloro-N,4-diethylbenzenesulfonamide
SMILESCCNS(=O)(=O)c1ccc(CC)c(Cl)c1
InChIInChI=1S/C10H14ClNO2S/c1-3-8-5-6-9(7-10(8)11)15(13,14)12-4-2/h5-7,12H,3-4H2,1-2H3
InChIKeyDIWWKOPCLTWSNN-UHFFFAOYSA-N
MW247.75 g/mol
LogP2.20
Rot. Bonds4

About 3-chloro-N,4-diethylbenzenesulfonamide

3-chloro-N,4-diethylbenzenesulfonamide (PubChem CID 165445797) has the molecular formula C10H14ClNO2S and a molecular weight of 247.75 g/mol. Its IUPAC name is 3-chloro-N,4-diethylbenzenesulfonamide.

Molecular Properties

Compound Name3-chloro-N,4-diethylbenzenesulfonamide
PubChem CID165445797
Molecular FormulaC10H14ClNO2S
Molecular Weight247.75 g/mol
Exact Mass247.04
IUPAC Name3-chloro-N,4-diethylbenzenesulfonamide
SMILESCCNS(=O)(=O)c1ccc(CC)c(Cl)c1
InChIInChI=1S/C10H14ClNO2S/c1-3-8-5-6-9(7-10(8)11)15(13,14)12-4-2/h5-7,12H,3-4H2,1-2H3
InChIKeyDIWWKOPCLTWSNN-UHFFFAOYSA-N
XLogP2.20
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.75
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-chloro-N,4-diethylbenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-chloro-N-ethyl-4-(hydroxymethyl)benzenesulfonamide
CID 107090660
3-chloro-4-ethyl-N-methylbenzenesulfonamide
CID 149042706
4-chloro-N-ethyl-3-(2-methylpropanoyl)benzenesulfonamide
CID 142910845
4-chloro-3-ethoxy-N-ethylbenzenesulfonamide
CID 6459389
4-(aminomethyl)-3-chloro-N-[(5-ethylthiophen-2-yl)methyl]benzenesulfonamide
CID 106094666
3-chloro-4-(ethylaminomethyl)-N-(2-methylsulfanylpropyl)benzenesulfonamide
CID 106077984
3-chloro-4-[(cyclopropylamino)methyl]-N-propylbenzenesulfonamide
CID 107091304
3-chloro-N-ethyl-4-[methyl(2,3,3-trimethylbutan-2-yloxy)boranyl]benzenesulfonamide
CID 174069916
3-chloro-N-(2-methylpropyl)-4-[(propan-2-ylamino)methyl]benzenesulfonamide
CID 107091328
N-tert-butyl-3-chloro-4-(ethylaminomethyl)benzenesulfonamide
CID 107091310
3-chloro-4-(ethylaminomethyl)-N-(furan-3-ylmethyl)benzenesulfonamide
CID 107091695
3-chloro-4-(hydroxymethyl)-N-(3-methyl-2-propan-2-ylbutyl)benzenesulfonamide
CID 107090907

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N,4-diethylbenzenesulfonamide?
The IUPAC name of 3-chloro-N,4-diethylbenzenesulfonamide (CID 165445797) is 3-chloro-N,4-diethylbenzenesulfonamide.
What is the SMILES notation for 3-chloro-N,4-diethylbenzenesulfonamide?
The canonical SMILES for 3-chloro-N,4-diethylbenzenesulfonamide is CCNS(=O)(=O)c1ccc(CC)c(Cl)c1.
What is the InChIKey of 3-chloro-N,4-diethylbenzenesulfonamide?
The InChIKey is DIWWKOPCLTWSNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClNO2S/c1-3-8-5-6-9(7-10(8)11)15(13,14)12-4-2/h5-7,12H,3-4H2,1-2H3.
What are the key properties of 3-chloro-N,4-diethylbenzenesulfonamide?
3-chloro-N,4-diethylbenzenesulfonamide has a molecular weight of 247.75 g/mol, XLogP of 2.20, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N,4-diethylbenzenesulfonamide is sourced from PubChem (CID 165445797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).