5-(aminomethyl)-2,4-dichloro-N-methyl-N-(oxolan-3-yl)benzenesulfonamide

C12H16Cl2N2O3S — CID 82745272

IUPAC5-(aminomethyl)-2,4-dichloro-N-methyl-N-(oxolan-3-yl)benzenesulfonamide
SMILESCN(C1CCOC1)S(=O)(=O)c1cc(CN)c(Cl)cc1Cl
InChIInChI=1S/C12H16Cl2N2O3S/c1-16(9-2-3-19-7-9)20(17,18)12-4-8(6-15)10(13)5-11(12)14/h4-5,9H,2-3,6-7,15H2,1H3
InChIKeySUYFJXYWPRJJON-UHFFFAOYSA-N
MW339.24 g/mol
LogP1.86
Rot. Bonds4

About 5-(aminomethyl)-2,4-dichloro-N-methyl-N-(oxolan-3-yl)benzenesulfonamide

5-(aminomethyl)-2,4-dichloro-N-methyl-N-(oxolan-3-yl)benzenesulfonamide (PubChem CID 82745272) has the molecular formula C12H16Cl2N2O3S and a molecular weight of 339.24 g/mol. Its IUPAC name is 5-(aminomethyl)-2,4-dichloro-N-methyl-N-(oxolan-3-yl)benzenesulfonamide.

Molecular Properties

Compound Name5-(aminomethyl)-2,4-dichloro-N-methyl-N-(oxolan-3-yl)benzenesulfonamide
PubChem CID82745272
Molecular FormulaC12H16Cl2N2O3S
Molecular Weight339.24 g/mol
Exact Mass338.03
IUPAC Name5-(aminomethyl)-2,4-dichloro-N-methyl-N-(oxolan-3-yl)benzenesulfonamide
SMILESCN(C1CCOC1)S(=O)(=O)c1cc(CN)c(Cl)cc1Cl
InChIInChI=1S/C12H16Cl2N2O3S/c1-16(9-2-3-19-7-9)20(17,18)12-4-8(6-15)10(13)5-11(12)14/h4-5,9H,2-3,6-7,15H2,1H3
InChIKeySUYFJXYWPRJJON-UHFFFAOYSA-N
XLogP1.86
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.24
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-amino-2-ethyl-N-methyl-N-(oxolan-3-yl)benzenesulfonamide
CID 82741698
2,4-dichloro-3-fluoro-N-methyl-N-[(3R)-oxolan-3-yl]benzenesulfonamide
CID 99858909
5-(chloromethyl)-N,2-dimethyl-N-(oxolan-3-yl)thiophene-3-sulfonamide
CID 82746154
4-chloro-N,2-dimethyl-5-nitro-N-(oxolan-3-yl)benzenesulfonamide
CID 81495206
5-(chloromethyl)-N,2-dimethyl-N-(oxolan-3-yl)benzenesulfonamide
CID 82744473
5-bromo-3-(chloromethyl)-2-fluoro-N-methyl-N-(oxolan-3-yl)benzenesulfonamide
CID 82745729
5-amino-2-fluoro-N,4-dimethyl-N-(oxolan-3-yl)benzenesulfonamide
CID 82740574
2-ethyl-N-methyl-5-(methylaminomethyl)-N-(oxolan-3-yl)benzenesulfonamide
CID 82748707
5-(chloromethyl)-2-methoxy-N-methyl-N-(oxolan-3-yl)benzenesulfonamide
CID 82744947
5-(chloromethyl)-N-methyl-N-(oxolan-3-yl)thiophene-3-sulfonamide
CID 82745840
4-bromo-N,2-dimethyl-N-[(3R)-oxolan-3-yl]benzenesulfonamide
CID 99634312
2-amino-5-bromo-N-methyl-N-(oxolan-3-yl)pyridine-3-sulfonamide
CID 113278224

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-2,4-dichloro-N-methyl-N-(oxolan-3-yl)benzenesulfonamide?
The IUPAC name of 5-(aminomethyl)-2,4-dichloro-N-methyl-N-(oxolan-3-yl)benzenesulfonamide (CID 82745272) is 5-(aminomethyl)-2,4-dichloro-N-methyl-N-(oxolan-3-yl)benzenesulfonamide.
What is the SMILES notation for 5-(aminomethyl)-2,4-dichloro-N-methyl-N-(oxolan-3-yl)benzenesulfonamide?
The canonical SMILES for 5-(aminomethyl)-2,4-dichloro-N-methyl-N-(oxolan-3-yl)benzenesulfonamide is CN(C1CCOC1)S(=O)(=O)c1cc(CN)c(Cl)cc1Cl.
What is the InChIKey of 5-(aminomethyl)-2,4-dichloro-N-methyl-N-(oxolan-3-yl)benzenesulfonamide?
The InChIKey is SUYFJXYWPRJJON-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16Cl2N2O3S/c1-16(9-2-3-19-7-9)20(17,18)12-4-8(6-15)10(13)5-11(12)14/h4-5,9H,2-3,6-7,15H2,1H3.
What are the key properties of 5-(aminomethyl)-2,4-dichloro-N-methyl-N-(oxolan-3-yl)benzenesulfonamide?
5-(aminomethyl)-2,4-dichloro-N-methyl-N-(oxolan-3-yl)benzenesulfonamide has a molecular weight of 339.24 g/mol, XLogP of 1.86, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-2,4-dichloro-N-methyl-N-(oxolan-3-yl)benzenesulfonamide is sourced from PubChem (CID 82745272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).