4-(dimethylcarbamoyl)-2-methoxybenzenesulfonyl chloride

C10H12ClNO4S — CID 79770004

IUPAC4-(dimethylcarbamoyl)-2-methoxybenzenesulfonyl chloride
SMILESCOc1cc(C(=O)N(C)C)ccc1S(=O)(=O)Cl
InChIInChI=1S/C10H12ClNO4S/c1-12(2)10(13)7-4-5-9(17(11,14)15)8(6-7)16-3/h4-6H,1-3H3
InChIKeyKJDJATUJRZTJDU-UHFFFAOYSA-N
MW277.73 g/mol
LogP1.32
Rot. Bonds3

About 4-(dimethylcarbamoyl)-2-methoxybenzenesulfonyl chloride

4-(dimethylcarbamoyl)-2-methoxybenzenesulfonyl chloride (PubChem CID 79770004) has the molecular formula C10H12ClNO4S and a molecular weight of 277.73 g/mol. Its IUPAC name is 4-(dimethylcarbamoyl)-2-methoxybenzenesulfonyl chloride.

Molecular Properties

Compound Name4-(dimethylcarbamoyl)-2-methoxybenzenesulfonyl chloride
PubChem CID79770004
Molecular FormulaC10H12ClNO4S
Molecular Weight277.73 g/mol
Exact Mass277.02
IUPAC Name4-(dimethylcarbamoyl)-2-methoxybenzenesulfonyl chloride
SMILESCOc1cc(C(=O)N(C)C)ccc1S(=O)(=O)Cl
InChIInChI=1S/C10H12ClNO4S/c1-12(2)10(13)7-4-5-9(17(11,14)15)8(6-7)16-3/h4-6H,1-3H3
InChIKeyKJDJATUJRZTJDU-UHFFFAOYSA-N
XLogP1.32
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.73
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-[cyclopropyl(methyl)carbamoyl]-2-methoxybenzenesulfonyl chloride
CID 65371454
4-chloro-2-methoxybenzenesulfonyl chloride
CID 15725376
5-(dimethylcarbamoyl)-3-fluoro-2-methoxybenzenesulfonyl chloride
CID 65372377
5-acetyl-2-methoxybenzenesulfonyl chloride
CID 4737384
4-[(4-chlorophenyl)methoxy]-3-methoxy-N,N-dimethylbenzamide
CID 27678333
4-amino-N,N-dimethyl-3-[(2-methylpropan-2-yl)oxy]benzamide
CID 63358733
3-methoxy-N,N-dimethyl-4-(2-methylphenyl)benzamide
CID 144693423
3-[[3-(dimethylamino)-3-oxopropyl]sulfamoyl]-4-methoxy-N,N-dimethylbenzamide
CID 100829067
4-methoxy-N,N-dimethyl-3-phenylbenzamide
CID 49375903
4-[(2-chlorophenyl)methoxy]-3-methoxy-N,N-dimethylbenzamide
CID 7780134
N-[2-chloro-5-(dimethylcarbamoyl)phenyl]-3-(dimethylsulfamoyl)-4-methoxybenzamide
CID 55670093
3,4-diethoxy-N,N-dimethylbenzamide
CID 3370911

Frequently Asked Questions

What is the IUPAC name of 4-(dimethylcarbamoyl)-2-methoxybenzenesulfonyl chloride?
The IUPAC name of 4-(dimethylcarbamoyl)-2-methoxybenzenesulfonyl chloride (CID 79770004) is 4-(dimethylcarbamoyl)-2-methoxybenzenesulfonyl chloride.
What is the SMILES notation for 4-(dimethylcarbamoyl)-2-methoxybenzenesulfonyl chloride?
The canonical SMILES for 4-(dimethylcarbamoyl)-2-methoxybenzenesulfonyl chloride is COc1cc(C(=O)N(C)C)ccc1S(=O)(=O)Cl.
What is the InChIKey of 4-(dimethylcarbamoyl)-2-methoxybenzenesulfonyl chloride?
The InChIKey is KJDJATUJRZTJDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClNO4S/c1-12(2)10(13)7-4-5-9(17(11,14)15)8(6-7)16-3/h4-6H,1-3H3.
What are the key properties of 4-(dimethylcarbamoyl)-2-methoxybenzenesulfonyl chloride?
4-(dimethylcarbamoyl)-2-methoxybenzenesulfonyl chloride has a molecular weight of 277.73 g/mol, XLogP of 1.32, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylcarbamoyl)-2-methoxybenzenesulfonyl chloride is sourced from PubChem (CID 79770004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).