2-methoxy-5-(oxolan-2-ylmethylcarbamoyl)benzenesulfonyl chloride

C13H16ClNO5S — CID 65368575

IUPAC2-methoxy-5-(oxolan-2-ylmethylcarbamoyl)benzenesulfonyl chloride
SMILESCOc1ccc(C(=O)NCC2CCCO2)cc1S(=O)(=O)Cl
InChIInChI=1S/C13H16ClNO5S/c1-19-11-5-4-9(7-12(11)21(14,17)18)13(16)15-8-10-3-2-6-20-10/h4-5,7,10H,2-3,6,8H2,1H3,(H,15,16)
InChIKeyZFXAKKOUQJMJIY-UHFFFAOYSA-N
MW333.79 g/mol
LogP1.53
Rot. Bonds5

About 2-methoxy-5-(oxolan-2-ylmethylcarbamoyl)benzenesulfonyl chloride

2-methoxy-5-(oxolan-2-ylmethylcarbamoyl)benzenesulfonyl chloride (PubChem CID 65368575) has the molecular formula C13H16ClNO5S and a molecular weight of 333.79 g/mol. Its IUPAC name is 2-methoxy-5-(oxolan-2-ylmethylcarbamoyl)benzenesulfonyl chloride.

Molecular Properties

Compound Name2-methoxy-5-(oxolan-2-ylmethylcarbamoyl)benzenesulfonyl chloride
PubChem CID65368575
Molecular FormulaC13H16ClNO5S
Molecular Weight333.79 g/mol
Exact Mass333.04
IUPAC Name2-methoxy-5-(oxolan-2-ylmethylcarbamoyl)benzenesulfonyl chloride
SMILESCOc1ccc(C(=O)NCC2CCCO2)cc1S(=O)(=O)Cl
InChIInChI=1S/C13H16ClNO5S/c1-19-11-5-4-9(7-12(11)21(14,17)18)13(16)15-8-10-3-2-6-20-10/h4-5,7,10H,2-3,6,8H2,1H3,(H,15,16)
InChIKeyZFXAKKOUQJMJIY-UHFFFAOYSA-N
XLogP1.53
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.79
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-chloro-4-methoxy-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 7426624
4-methoxy-3-morpholin-4-ylsulfonyl-N-(oxolan-2-ylmethyl)benzamide
CID 18892278
3-methoxy-N-(oxolan-2-ylmethyl)-4-prop-2-enoxybenzamide
CID 18160322
3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-4-methoxy-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 2576633
4-N-[(3,4-dimethoxyphenyl)methyl]-1-N-(oxolan-2-ylmethyl)benzene-1,4-dicarboxamide
CID 109045599
4-methoxy-N,N-dimethyl-3-[[(2R)-oxolan-2-yl]methylsulfamoyl]benzamide
CID 100829062
4-chloro-3-(dimethylsulfamoyl)-N-(oxolan-2-ylmethyl)benzamide
CID 46798182
3-iodo-4-methoxy-N-[4-(oxolan-2-ylmethylcarbamoyl)phenyl]benzamide
CID 17205639
4-ethyl-N-(oxolan-2-ylmethyl)-3-sulfamoylbenzamide
CID 65374368
2-methoxy-N-(oxolan-2-ylmethyl)-5-sulfamoylbenzamide
CID 4883084
3-methoxy-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 669434
2-[(5-chloro-2-methoxyphenyl)sulfonylamino]-N-(oxolan-2-ylmethyl)acetamide
CID 112991399

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-(oxolan-2-ylmethylcarbamoyl)benzenesulfonyl chloride?
The IUPAC name of 2-methoxy-5-(oxolan-2-ylmethylcarbamoyl)benzenesulfonyl chloride (CID 65368575) is 2-methoxy-5-(oxolan-2-ylmethylcarbamoyl)benzenesulfonyl chloride.
What is the SMILES notation for 2-methoxy-5-(oxolan-2-ylmethylcarbamoyl)benzenesulfonyl chloride?
The canonical SMILES for 2-methoxy-5-(oxolan-2-ylmethylcarbamoyl)benzenesulfonyl chloride is COc1ccc(C(=O)NCC2CCCO2)cc1S(=O)(=O)Cl.
What is the InChIKey of 2-methoxy-5-(oxolan-2-ylmethylcarbamoyl)benzenesulfonyl chloride?
The InChIKey is ZFXAKKOUQJMJIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClNO5S/c1-19-11-5-4-9(7-12(11)21(14,17)18)13(16)15-8-10-3-2-6-20-10/h4-5,7,10H,2-3,6,8H2,1H3,(H,15,16).
What are the key properties of 2-methoxy-5-(oxolan-2-ylmethylcarbamoyl)benzenesulfonyl chloride?
2-methoxy-5-(oxolan-2-ylmethylcarbamoyl)benzenesulfonyl chloride has a molecular weight of 333.79 g/mol, XLogP of 1.53, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-(oxolan-2-ylmethylcarbamoyl)benzenesulfonyl chloride is sourced from PubChem (CID 65368575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).