4-chloro-3-ethoxy-N-ethylbenzenesulfonamide

C10H14ClNO3S — CID 6459389

IUPAC4-chloro-3-ethoxy-N-ethylbenzenesulfonamide
SMILESCCNS(=O)(=O)c1ccc(Cl)c(OCC)c1
InChIInChI=1S/C10H14ClNO3S/c1-3-12-16(13,14)8-5-6-9(11)10(7-8)15-4-2/h5-7,12H,3-4H2,1-2H3
InChIKeyBZLJIUQBNCLGQD-UHFFFAOYSA-N
MW263.75 g/mol
LogP2.04
Rot. Bonds5

About 4-chloro-3-ethoxy-N-ethylbenzenesulfonamide

4-chloro-3-ethoxy-N-ethylbenzenesulfonamide (PubChem CID 6459389) has the molecular formula C10H14ClNO3S and a molecular weight of 263.75 g/mol. Its IUPAC name is 4-chloro-3-ethoxy-N-ethylbenzenesulfonamide.

Molecular Properties

Compound Name4-chloro-3-ethoxy-N-ethylbenzenesulfonamide
PubChem CID6459389
Molecular FormulaC10H14ClNO3S
Molecular Weight263.75 g/mol
Exact Mass263.04
IUPAC Name4-chloro-3-ethoxy-N-ethylbenzenesulfonamide
SMILESCCNS(=O)(=O)c1ccc(Cl)c(OCC)c1
InChIInChI=1S/C10H14ClNO3S/c1-3-12-16(13,14)8-5-6-9(11)10(7-8)15-4-2/h5-7,12H,3-4H2,1-2H3
InChIKeyBZLJIUQBNCLGQD-UHFFFAOYSA-N
XLogP2.04
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.75
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-3-ethoxy-N-(3-methoxypropyl)benzenesulfonamide
CID 27245832
4-bromo-3-ethoxy-N-ethylbenzenesulfonamide
CID 39845206
4-chloro-3-ethoxy-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 1259590
4-chloro-N-cyclohexyl-3-ethoxybenzenesulfonamide
CID 25248820
3-chloro-N,4-diethylbenzenesulfonamide
CID 165445797
4-amino-3-(2-chlorophenoxy)-N-ethylbenzenesulfonamide
CID 82902167
N-butyl-3,4-diethoxybenzenesulfonamide
CID 40747179
3-chloro-4-ethoxy-N-(3-methoxypropyl)benzenesulfonamide
CID 110758135
4-chloro-3-ethoxy-N-[2-(5-methoxy-2-methyl-1H-indol-3-yl)ethyl]benzenesulfonamide
CID 2239852
3-butoxy-4-chlorobenzenesulfonyl chloride
CID 50876022
3-chloro-N-ethyl-4-(hydroxymethyl)benzenesulfonamide
CID 107090660
4-bromo-3-ethoxy-N-propylbenzenesulfonamide
CID 6473509

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-ethoxy-N-ethylbenzenesulfonamide?
The IUPAC name of 4-chloro-3-ethoxy-N-ethylbenzenesulfonamide (CID 6459389) is 4-chloro-3-ethoxy-N-ethylbenzenesulfonamide.
What is the SMILES notation for 4-chloro-3-ethoxy-N-ethylbenzenesulfonamide?
The canonical SMILES for 4-chloro-3-ethoxy-N-ethylbenzenesulfonamide is CCNS(=O)(=O)c1ccc(Cl)c(OCC)c1.
What is the InChIKey of 4-chloro-3-ethoxy-N-ethylbenzenesulfonamide?
The InChIKey is BZLJIUQBNCLGQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClNO3S/c1-3-12-16(13,14)8-5-6-9(11)10(7-8)15-4-2/h5-7,12H,3-4H2,1-2H3.
What are the key properties of 4-chloro-3-ethoxy-N-ethylbenzenesulfonamide?
4-chloro-3-ethoxy-N-ethylbenzenesulfonamide has a molecular weight of 263.75 g/mol, XLogP of 2.04, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-ethoxy-N-ethylbenzenesulfonamide is sourced from PubChem (CID 6459389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).