(2-acetamido-3-methoxyphenyl)methanesulfonyl chloride

C10H12ClNO4S — CID 117445145

IUPAC(2-acetamido-3-methoxyphenyl)methanesulfonyl chloride
SMILESCOc1cccc(CS(=O)(=O)Cl)c1NC(C)=O
InChIInChI=1S/C10H12ClNO4S/c1-7(13)12-10-8(6-17(11,14)15)4-3-5-9(10)16-2/h3-5H,6H2,1-2H3,(H,12,13)
InChIKeySIYAFCFHRHPWOE-UHFFFAOYSA-N
MW277.73 g/mol
LogP1.72
Rot. Bonds4

About (2-acetamido-3-methoxyphenyl)methanesulfonyl chloride

(2-acetamido-3-methoxyphenyl)methanesulfonyl chloride (PubChem CID 117445145) has the molecular formula C10H12ClNO4S and a molecular weight of 277.73 g/mol. Its IUPAC name is (2-acetamido-3-methoxyphenyl)methanesulfonyl chloride.

Molecular Properties

Compound Name(2-acetamido-3-methoxyphenyl)methanesulfonyl chloride
PubChem CID117445145
Molecular FormulaC10H12ClNO4S
Molecular Weight277.73 g/mol
Exact Mass277.02
IUPAC Name(2-acetamido-3-methoxyphenyl)methanesulfonyl chloride
SMILESCOc1cccc(CS(=O)(=O)Cl)c1NC(C)=O
InChIInChI=1S/C10H12ClNO4S/c1-7(13)12-10-8(6-17(11,14)15)4-3-5-9(10)16-2/h3-5H,6H2,1-2H3,(H,12,13)
InChIKeySIYAFCFHRHPWOE-UHFFFAOYSA-N
XLogP1.72
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.73
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-acetamido-3-methoxyphenyl)propanoic acid
CID 105498839
3-(2-acetamido-3-methoxyphenyl)-2,2-dimethylpropanoic acid
CID 117417062
(3-methoxy-2-methylsulfonylphenyl)methanesulfonyl chloride
CID 117481130
N-[2-(3-aminobutyl)-6-methoxyphenyl]acetamide
CID 105497913
N-[2-methoxy-6-(piperidin-4-ylmethyl)phenyl]acetamide
CID 117410784
N-(2-acetyl-6-methoxyphenyl)acetamide
CID 117295660
(4-hydroxy-2-methoxyphenyl)methanesulfonyl chloride
CID 117345788
2-chloro-N-(2,6-dimethoxyphenyl)acetamide
CID 20570575
2-acetamido-3-methoxy-N,N-dimethylbenzamide
CID 140972358
tert-butyl N-[2-methoxy-6-(2-oxopropyl)phenyl]carbamate
CID 175297517
1-[2-(aminomethyl)-6-methoxyphenyl]-3-phenylurea
CID 107467314
N-[2-methoxy-6-[2-(methylamino)acetyl]phenyl]acetamide
CID 105497642

Frequently Asked Questions

What is the IUPAC name of (2-acetamido-3-methoxyphenyl)methanesulfonyl chloride?
The IUPAC name of (2-acetamido-3-methoxyphenyl)methanesulfonyl chloride (CID 117445145) is (2-acetamido-3-methoxyphenyl)methanesulfonyl chloride.
What is the SMILES notation for (2-acetamido-3-methoxyphenyl)methanesulfonyl chloride?
The canonical SMILES for (2-acetamido-3-methoxyphenyl)methanesulfonyl chloride is COc1cccc(CS(=O)(=O)Cl)c1NC(C)=O.
What is the InChIKey of (2-acetamido-3-methoxyphenyl)methanesulfonyl chloride?
The InChIKey is SIYAFCFHRHPWOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClNO4S/c1-7(13)12-10-8(6-17(11,14)15)4-3-5-9(10)16-2/h3-5H,6H2,1-2H3,(H,12,13).
What are the key properties of (2-acetamido-3-methoxyphenyl)methanesulfonyl chloride?
(2-acetamido-3-methoxyphenyl)methanesulfonyl chloride has a molecular weight of 277.73 g/mol, XLogP of 1.72, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-acetamido-3-methoxyphenyl)methanesulfonyl chloride is sourced from PubChem (CID 117445145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).