3-chloro-N-ethyl-4-(hydroxymethyl)benzenesulfonamide

C9H12ClNO3S — CID 107090660

IUPAC3-chloro-N-ethyl-4-(hydroxymethyl)benzenesulfonamide
SMILESCCNS(=O)(=O)c1ccc(CO)c(Cl)c1
InChIInChI=1S/C9H12ClNO3S/c1-2-11-15(13,14)8-4-3-7(6-12)9(10)5-8/h3-5,11-12H,2,6H2,1H3
InChIKeyHOXFAKPJGRTFTL-UHFFFAOYSA-N
MW249.72 g/mol
LogP1.13
Rot. Bonds4

About 3-chloro-N-ethyl-4-(hydroxymethyl)benzenesulfonamide

3-chloro-N-ethyl-4-(hydroxymethyl)benzenesulfonamide (PubChem CID 107090660) has the molecular formula C9H12ClNO3S and a molecular weight of 249.72 g/mol. Its IUPAC name is 3-chloro-N-ethyl-4-(hydroxymethyl)benzenesulfonamide.

Molecular Properties

Compound Name3-chloro-N-ethyl-4-(hydroxymethyl)benzenesulfonamide
PubChem CID107090660
Molecular FormulaC9H12ClNO3S
Molecular Weight249.72 g/mol
Exact Mass249.02
IUPAC Name3-chloro-N-ethyl-4-(hydroxymethyl)benzenesulfonamide
SMILESCCNS(=O)(=O)c1ccc(CO)c(Cl)c1
InChIInChI=1S/C9H12ClNO3S/c1-2-11-15(13,14)8-4-3-7(6-12)9(10)5-8/h3-5,11-12H,2,6H2,1H3
InChIKeyHOXFAKPJGRTFTL-UHFFFAOYSA-N
XLogP1.13
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.72
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-N,4-diethylbenzenesulfonamide
CID 165445797
3-chloro-4-(hydroxymethyl)-N-(3-methyl-2-propan-2-ylbutyl)benzenesulfonamide
CID 107090907
3-chloro-4-(hydroxymethyl)-N-(3-methylpentan-3-yl)benzenesulfonamide
CID 106331656
3-chloro-4-(hydroxymethyl)-N-[(1-methylsulfanylcyclopentyl)methyl]benzenesulfonamide
CID 106000766
3-chloro-4-(hydroxymethyl)-N-[(1-methoxycyclobutyl)methyl]benzenesulfonamide
CID 106001077
4-chloro-N-ethyl-3-(2-methylpropanoyl)benzenesulfonamide
CID 142910845
3-chloro-4-(hydroxymethyl)-N-(1,2,4-oxadiazol-3-ylmethyl)benzenesulfonamide
CID 106410526
3-chloro-4-ethyl-N-methylbenzenesulfonamide
CID 149042706
3-chloro-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-(hydroxymethyl)benzenesulfonamide
CID 106000069
3-chloro-4-(ethylaminomethyl)-N-(2-methylsulfanylpropyl)benzenesulfonamide
CID 106077984
4-chloro-3-ethoxy-N-ethylbenzenesulfonamide
CID 6459389
N-tert-butyl-3-chloro-4-(ethylaminomethyl)benzenesulfonamide
CID 107091310

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-ethyl-4-(hydroxymethyl)benzenesulfonamide?
The IUPAC name of 3-chloro-N-ethyl-4-(hydroxymethyl)benzenesulfonamide (CID 107090660) is 3-chloro-N-ethyl-4-(hydroxymethyl)benzenesulfonamide.
What is the SMILES notation for 3-chloro-N-ethyl-4-(hydroxymethyl)benzenesulfonamide?
The canonical SMILES for 3-chloro-N-ethyl-4-(hydroxymethyl)benzenesulfonamide is CCNS(=O)(=O)c1ccc(CO)c(Cl)c1.
What is the InChIKey of 3-chloro-N-ethyl-4-(hydroxymethyl)benzenesulfonamide?
The InChIKey is HOXFAKPJGRTFTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClNO3S/c1-2-11-15(13,14)8-4-3-7(6-12)9(10)5-8/h3-5,11-12H,2,6H2,1H3.
What are the key properties of 3-chloro-N-ethyl-4-(hydroxymethyl)benzenesulfonamide?
3-chloro-N-ethyl-4-(hydroxymethyl)benzenesulfonamide has a molecular weight of 249.72 g/mol, XLogP of 1.13, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-ethyl-4-(hydroxymethyl)benzenesulfonamide is sourced from PubChem (CID 107090660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).