2,3-dichloro-N-[[1-(hydroxymethyl)cyclopropyl]methyl]-N-methylbenzenesulfonamide

C12H15Cl2NO3S — CID 136534263

IUPAC2,3-dichloro-N-[[1-(hydroxymethyl)cyclopropyl]methyl]-N-methylbenzenesulfonamide
SMILESCN(CC1(CO)CC1)S(=O)(=O)c1cccc(Cl)c1Cl
InChIInChI=1S/C12H15Cl2NO3S/c1-15(7-12(8-16)5-6-12)19(17,18)10-4-2-3-9(13)11(10)14/h2-4,16H,5-8H2,1H3
InChIKeyOQLFNQPBAHXWCT-UHFFFAOYSA-N
MW324.23 g/mol
LogP2.39
Rot. Bonds5

About 2,3-dichloro-N-[[1-(hydroxymethyl)cyclopropyl]methyl]-N-methylbenzenesulfonamide

2,3-dichloro-N-[[1-(hydroxymethyl)cyclopropyl]methyl]-N-methylbenzenesulfonamide (PubChem CID 136534263) has the molecular formula C12H15Cl2NO3S and a molecular weight of 324.23 g/mol. Its IUPAC name is 2,3-dichloro-N-[[1-(hydroxymethyl)cyclopropyl]methyl]-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name2,3-dichloro-N-[[1-(hydroxymethyl)cyclopropyl]methyl]-N-methylbenzenesulfonamide
PubChem CID136534263
Molecular FormulaC12H15Cl2NO3S
Molecular Weight324.23 g/mol
Exact Mass323.01
IUPAC Name2,3-dichloro-N-[[1-(hydroxymethyl)cyclopropyl]methyl]-N-methylbenzenesulfonamide
SMILESCN(CC1(CO)CC1)S(=O)(=O)c1cccc(Cl)c1Cl
InChIInChI=1S/C12H15Cl2NO3S/c1-15(7-12(8-16)5-6-12)19(17,18)10-4-2-3-9(13)11(10)14/h2-4,16H,5-8H2,1H3
InChIKeyOQLFNQPBAHXWCT-UHFFFAOYSA-N
XLogP2.39
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.23
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,3-dichloro-N-[[1-(hydroxymethyl)cyclopropyl]methyl]-N-methylbenzenesulfonamide?
The IUPAC name of 2,3-dichloro-N-[[1-(hydroxymethyl)cyclopropyl]methyl]-N-methylbenzenesulfonamide (CID 136534263) is 2,3-dichloro-N-[[1-(hydroxymethyl)cyclopropyl]methyl]-N-methylbenzenesulfonamide.
What is the SMILES notation for 2,3-dichloro-N-[[1-(hydroxymethyl)cyclopropyl]methyl]-N-methylbenzenesulfonamide?
The canonical SMILES for 2,3-dichloro-N-[[1-(hydroxymethyl)cyclopropyl]methyl]-N-methylbenzenesulfonamide is CN(CC1(CO)CC1)S(=O)(=O)c1cccc(Cl)c1Cl.
What is the InChIKey of 2,3-dichloro-N-[[1-(hydroxymethyl)cyclopropyl]methyl]-N-methylbenzenesulfonamide?
The InChIKey is OQLFNQPBAHXWCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15Cl2NO3S/c1-15(7-12(8-16)5-6-12)19(17,18)10-4-2-3-9(13)11(10)14/h2-4,16H,5-8H2,1H3.
What are the key properties of 2,3-dichloro-N-[[1-(hydroxymethyl)cyclopropyl]methyl]-N-methylbenzenesulfonamide?
2,3-dichloro-N-[[1-(hydroxymethyl)cyclopropyl]methyl]-N-methylbenzenesulfonamide has a molecular weight of 324.23 g/mol, XLogP of 2.39, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dichloro-N-[[1-(hydroxymethyl)cyclopropyl]methyl]-N-methylbenzenesulfonamide is sourced from PubChem (CID 136534263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).