2-methoxy-5-[(3-methoxy-2-methylpropyl)carbamoyl]benzenesulfonyl chloride

C13H18ClNO5S — CID 65397770

IUPAC2-methoxy-5-[(3-methoxy-2-methylpropyl)carbamoyl]benzenesulfonyl chloride
SMILESCOCC(C)CNC(=O)c1ccc(OC)c(S(=O)(=O)Cl)c1
InChIInChI=1S/C13H18ClNO5S/c1-9(8-19-2)7-15-13(16)10-4-5-11(20-3)12(6-10)21(14,17)18/h4-6,9H,7-8H2,1-3H3,(H,15,16)
InChIKeyYWOYIVLIFASCNX-UHFFFAOYSA-N
MW335.81 g/mol
LogP1.63
Rot. Bonds7

About 2-methoxy-5-[(3-methoxy-2-methylpropyl)carbamoyl]benzenesulfonyl chloride

2-methoxy-5-[(3-methoxy-2-methylpropyl)carbamoyl]benzenesulfonyl chloride (PubChem CID 65397770) has the molecular formula C13H18ClNO5S and a molecular weight of 335.81 g/mol. Its IUPAC name is 2-methoxy-5-[(3-methoxy-2-methylpropyl)carbamoyl]benzenesulfonyl chloride.

Molecular Properties

Compound Name2-methoxy-5-[(3-methoxy-2-methylpropyl)carbamoyl]benzenesulfonyl chloride
PubChem CID65397770
Molecular FormulaC13H18ClNO5S
Molecular Weight335.81 g/mol
Exact Mass335.06
IUPAC Name2-methoxy-5-[(3-methoxy-2-methylpropyl)carbamoyl]benzenesulfonyl chloride
SMILESCOCC(C)CNC(=O)c1ccc(OC)c(S(=O)(=O)Cl)c1
InChIInChI=1S/C13H18ClNO5S/c1-9(8-19-2)7-15-13(16)10-4-5-11(20-3)12(6-10)21(14,17)18/h4-6,9H,7-8H2,1-3H3,(H,15,16)
InChIKeyYWOYIVLIFASCNX-UHFFFAOYSA-N
XLogP1.63
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.81
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(2,3-dimethylbutylcarbamoyl)-2-methoxybenzenesulfonyl chloride
CID 65398816
2-methoxy-5-(3-methylbutylcarbamoyl)benzenesulfonyl chloride
CID 65367764
2-methoxy-5-(propylcarbamoyl)benzenesulfonyl chloride
CID 65368631
2-methoxy-5-(pentan-2-ylcarbamoyl)benzenesulfonyl chloride
CID 65368816
5-(hexylcarbamoyl)-2-methoxybenzenesulfonyl chloride
CID 65397075
N-(3-chloro-2-methylpropyl)-3-fluoro-4-methoxybenzamide
CID 114302762
N-[(2S)-2-(dimethylamino)propyl]-3-(dimethylsulfamoyl)-4-methoxybenzamide
CID 126838118
5-acetyl-2-methoxybenzenesulfonyl chloride
CID 4737384
N-(3-methoxy-2-methylpropyl)-1H-indole-6-carboxamide
CID 47432269
2-bromo-5-[(3-methoxy-2-methylpropyl)carbamoyl]furan-3-sulfonyl chloride
CID 65396615
4-bromo-N-(3-methoxy-2-methylpropyl)benzamide
CID 48685252
N-(3-methoxy-2-methylpropyl)-3-sulfamoylbenzamide
CID 48630521

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-[(3-methoxy-2-methylpropyl)carbamoyl]benzenesulfonyl chloride?
The IUPAC name of 2-methoxy-5-[(3-methoxy-2-methylpropyl)carbamoyl]benzenesulfonyl chloride (CID 65397770) is 2-methoxy-5-[(3-methoxy-2-methylpropyl)carbamoyl]benzenesulfonyl chloride.
What is the SMILES notation for 2-methoxy-5-[(3-methoxy-2-methylpropyl)carbamoyl]benzenesulfonyl chloride?
The canonical SMILES for 2-methoxy-5-[(3-methoxy-2-methylpropyl)carbamoyl]benzenesulfonyl chloride is COCC(C)CNC(=O)c1ccc(OC)c(S(=O)(=O)Cl)c1.
What is the InChIKey of 2-methoxy-5-[(3-methoxy-2-methylpropyl)carbamoyl]benzenesulfonyl chloride?
The InChIKey is YWOYIVLIFASCNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO5S/c1-9(8-19-2)7-15-13(16)10-4-5-11(20-3)12(6-10)21(14,17)18/h4-6,9H,7-8H2,1-3H3,(H,15,16).
What are the key properties of 2-methoxy-5-[(3-methoxy-2-methylpropyl)carbamoyl]benzenesulfonyl chloride?
2-methoxy-5-[(3-methoxy-2-methylpropyl)carbamoyl]benzenesulfonyl chloride has a molecular weight of 335.81 g/mol, XLogP of 1.63, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-[(3-methoxy-2-methylpropyl)carbamoyl]benzenesulfonyl chloride is sourced from PubChem (CID 65397770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).