(2-acetamido-6-chloro-3-hydroxyphenyl)methanesulfonyl chloride

C9H9Cl2NO4S — CID 117479727

IUPAC(2-acetamido-6-chloro-3-hydroxyphenyl)methanesulfonyl chloride
SMILESCC(=O)Nc1c(O)ccc(Cl)c1CS(=O)(=O)Cl
InChIInChI=1S/C9H9Cl2NO4S/c1-5(13)12-9-6(4-17(11,15)16)7(10)2-3-8(9)14/h2-3,14H,4H2,1H3,(H,12,13)
InChIKeyOIFSEFRUDZHVMG-UHFFFAOYSA-N
MW298.15 g/mol
LogP2.07
Rot. Bonds3

About (2-acetamido-6-chloro-3-hydroxyphenyl)methanesulfonyl chloride

(2-acetamido-6-chloro-3-hydroxyphenyl)methanesulfonyl chloride (PubChem CID 117479727) has the molecular formula C9H9Cl2NO4S and a molecular weight of 298.15 g/mol. Its IUPAC name is (2-acetamido-6-chloro-3-hydroxyphenyl)methanesulfonyl chloride.

Molecular Properties

Compound Name(2-acetamido-6-chloro-3-hydroxyphenyl)methanesulfonyl chloride
PubChem CID117479727
Molecular FormulaC9H9Cl2NO4S
Molecular Weight298.15 g/mol
Exact Mass296.96
IUPAC Name(2-acetamido-6-chloro-3-hydroxyphenyl)methanesulfonyl chloride
SMILESCC(=O)Nc1c(O)ccc(Cl)c1CS(=O)(=O)Cl
InChIInChI=1S/C9H9Cl2NO4S/c1-5(13)12-9-6(4-17(11,15)16)7(10)2-3-8(9)14/h2-3,14H,4H2,1H3,(H,12,13)
InChIKeyOIFSEFRUDZHVMG-UHFFFAOYSA-N
XLogP2.07
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.15
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

N-[2-(3-aminopropyl)-3-chloro-6-hydroxyphenyl]acetamide
CID 117358835
3-(2-acetamido-6-chloro-3-hydroxyphenyl)-3-methylbutanoic acid
CID 117460212
N-[2-[1-(aminomethyl)cyclopropyl]-3-chloro-6-hydroxyphenyl]acetamide
CID 117389843
(6-chloro-2-fluoro-3-methylphenyl)methanesulfonyl chloride
CID 84709005
(2,6-dichloro-4-hydroxyphenyl)methanesulfonyl chloride
CID 84810750
methyl 2-(2-acetamido-6-chloro-3-hydroxyphenyl)-2-hydroxyacetate
CID 117436897
3-(2-acetamido-6-chloro-3-methoxyphenyl)-2,2-dimethylpropanoic acid
CID 117482668
(2-acetamido-3-methoxyphenyl)methanesulfonyl chloride
CID 117445145
methyl 2-(2,3-dichloro-6-hydroxyphenyl)acetate
CID 130864862
N-[3-chloro-2-(3-hydroxypropyl)-6-methoxyphenyl]acetamide
CID 117397884
N-[2,6-dichloro-3-hydroxy-4-(methanesulfonamido)phenyl]acetamide
CID 22719099
3-(2-acetamido-6-chloro-3-hydroxyphenyl)-3-cyclopropylpropanoic acid
CID 117479334

Frequently Asked Questions

What is the IUPAC name of (2-acetamido-6-chloro-3-hydroxyphenyl)methanesulfonyl chloride?
The IUPAC name of (2-acetamido-6-chloro-3-hydroxyphenyl)methanesulfonyl chloride (CID 117479727) is (2-acetamido-6-chloro-3-hydroxyphenyl)methanesulfonyl chloride.
What is the SMILES notation for (2-acetamido-6-chloro-3-hydroxyphenyl)methanesulfonyl chloride?
The canonical SMILES for (2-acetamido-6-chloro-3-hydroxyphenyl)methanesulfonyl chloride is CC(=O)Nc1c(O)ccc(Cl)c1CS(=O)(=O)Cl.
What is the InChIKey of (2-acetamido-6-chloro-3-hydroxyphenyl)methanesulfonyl chloride?
The InChIKey is OIFSEFRUDZHVMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9Cl2NO4S/c1-5(13)12-9-6(4-17(11,15)16)7(10)2-3-8(9)14/h2-3,14H,4H2,1H3,(H,12,13).
What are the key properties of (2-acetamido-6-chloro-3-hydroxyphenyl)methanesulfonyl chloride?
(2-acetamido-6-chloro-3-hydroxyphenyl)methanesulfonyl chloride has a molecular weight of 298.15 g/mol, XLogP of 2.07, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-acetamido-6-chloro-3-hydroxyphenyl)methanesulfonyl chloride is sourced from PubChem (CID 117479727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).