5-chloro-4-ethoxy-2-methylbenzenesulfonamide

C9H12ClNO3S — CID 82297288

IUPAC5-chloro-4-ethoxy-2-methylbenzenesulfonamide
SMILESCCOc1cc(C)c(S(N)(=O)=O)cc1Cl
InChIInChI=1S/C9H12ClNO3S/c1-3-14-8-4-6(2)9(5-7(8)10)15(11,12)13/h4-5H,3H2,1-2H3,(H2,11,12,13)
InChIKeyYZYIYYUADOGIHD-UHFFFAOYSA-N
MW249.72 g/mol
LogP1.69
Rot. Bonds3

About 5-chloro-4-ethoxy-2-methylbenzenesulfonamide

5-chloro-4-ethoxy-2-methylbenzenesulfonamide (PubChem CID 82297288) has the molecular formula C9H12ClNO3S and a molecular weight of 249.72 g/mol. Its IUPAC name is 5-chloro-4-ethoxy-2-methylbenzenesulfonamide.

Molecular Properties

Compound Name5-chloro-4-ethoxy-2-methylbenzenesulfonamide
PubChem CID82297288
Molecular FormulaC9H12ClNO3S
Molecular Weight249.72 g/mol
Exact Mass249.02
IUPAC Name5-chloro-4-ethoxy-2-methylbenzenesulfonamide
SMILESCCOc1cc(C)c(S(N)(=O)=O)cc1Cl
InChIInChI=1S/C9H12ClNO3S/c1-3-14-8-4-6(2)9(5-7(8)10)15(11,12)13/h4-5H,3H2,1-2H3,(H2,11,12,13)
InChIKeyYZYIYYUADOGIHD-UHFFFAOYSA-N
XLogP1.69
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.72
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-2-ethoxy-4-methoxybenzenesulfonamide
CID 23285648
1-(5-chloro-4-ethoxy-2-methylphenyl)sulfonyl-4-methylpiperazine
CID 110757988
5-chloro-4-ethoxy-2-methylphenol
CID 82490779
5-chloro-4-ethoxy-2-methyl-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 110757998
1,4-dichloro-2-ethoxy-5-methylbenzene
CID 18335146
2-(5-chloro-4-ethoxy-2-methylphenyl)-2-methylpropan-1-amine
CID 82293238
4-butan-2-yloxy-2-methyl-5-propan-2-ylbenzenesulfonamide
CID 43342313
4,5-dimethoxy-2-methylbenzenesulfonamide
CID 35299033
5-chloro-4-ethoxy-2-methylbenzoic acid
CID 82284593
2,5-dichloro-4-(cyclopropylmethoxy)benzenesulfonamide
CID 43560597
4-ethoxy-2,3-dimethylbenzenesulfonamide
CID 43164397
3-(5-chloro-4-ethoxy-2-methylphenyl)-2,2-dimethylpropan-1-amine
CID 95464648

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-ethoxy-2-methylbenzenesulfonamide?
The IUPAC name of 5-chloro-4-ethoxy-2-methylbenzenesulfonamide (CID 82297288) is 5-chloro-4-ethoxy-2-methylbenzenesulfonamide.
What is the SMILES notation for 5-chloro-4-ethoxy-2-methylbenzenesulfonamide?
The canonical SMILES for 5-chloro-4-ethoxy-2-methylbenzenesulfonamide is CCOc1cc(C)c(S(N)(=O)=O)cc1Cl.
What is the InChIKey of 5-chloro-4-ethoxy-2-methylbenzenesulfonamide?
The InChIKey is YZYIYYUADOGIHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClNO3S/c1-3-14-8-4-6(2)9(5-7(8)10)15(11,12)13/h4-5H,3H2,1-2H3,(H2,11,12,13).
What are the key properties of 5-chloro-4-ethoxy-2-methylbenzenesulfonamide?
5-chloro-4-ethoxy-2-methylbenzenesulfonamide has a molecular weight of 249.72 g/mol, XLogP of 1.69, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-ethoxy-2-methylbenzenesulfonamide is sourced from PubChem (CID 82297288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).