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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Related Compounds

2,3-dichloro-N-(2-hydroxypropyl)-N-methylbenzenesulfonamide
CID 55060829
2-[2-[(2,3-dichlorophenyl)sulfonyl-methylamino]ethoxy]acetic acid
CID 69321042
2,3-dichloro-N-methyl-N-(2-phenoxyethyl)benzenesulfonamide
CID 2439982
N-[[1-(aminomethyl)cyclopropyl]methyl]-N,2-dimethylbenzenesulfonamide
CID 115267734
2,3-dichloro-N-(2-hydroxycyclohexyl)-N-methylbenzenesulfonamide
CID 102635648
2-chloro-N-(2-hydroxyethyl)-N-methylbenzenesulfonamide
CID 60962314
2,3-dichloro-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)benzenesulfonamide;hydrochloride
CID 119967368
N-(3-amino-4-methylpentyl)-2,3-dichloro-N-methylbenzenesulfonamide;hydrochloride
CID 119991964
2,3-dichloro-N-cyclopropyl-N-(2-hydroxyethyl)benzenesulfonamide
CID 43577659
2-amino-6-chloro-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylbenzenesulfonamide
CID 105413706
2-amino-3-[[1-(hydroxymethyl)cyclopropyl]methylamino]-N,N-dimethylbenzenesulfonamide
CID 107116582
2,3-dichloro-N-[(4,5-dimethoxy-2-methylphenyl)methyl]-N-methylbenzenesulfonamide
CID 8778154

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).