2,5-dichloro-3,6-dimethyl-N-(pyridin-2-ylmethyl)benzenesulfonamide

C14H14Cl2N2O2S — CID 40734479

IUPAC2,5-dichloro-3,6-dimethyl-N-(pyridin-2-ylmethyl)benzenesulfonamide
SMILESCc1cc(Cl)c(C)c(S(=O)(=O)NCc2ccccn2)c1Cl
InChIInChI=1S/C14H14Cl2N2O2S/c1-9-7-12(15)10(2)14(13(9)16)21(19,20)18-8-11-5-3-4-6-17-11/h3-7,18H,8H2,1-2H3
InChIKeyWUVKESJTJCMIEL-UHFFFAOYSA-N
MW345.25 g/mol
LogP3.48
Rot. Bonds4

About 2,5-dichloro-3,6-dimethyl-N-(pyridin-2-ylmethyl)benzenesulfonamide

2,5-dichloro-3,6-dimethyl-N-(pyridin-2-ylmethyl)benzenesulfonamide (PubChem CID 40734479) has the molecular formula C14H14Cl2N2O2S and a molecular weight of 345.25 g/mol. Its IUPAC name is 2,5-dichloro-3,6-dimethyl-N-(pyridin-2-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name2,5-dichloro-3,6-dimethyl-N-(pyridin-2-ylmethyl)benzenesulfonamide
PubChem CID40734479
Molecular FormulaC14H14Cl2N2O2S
Molecular Weight345.25 g/mol
Exact Mass344.02
IUPAC Name2,5-dichloro-3,6-dimethyl-N-(pyridin-2-ylmethyl)benzenesulfonamide
SMILESCc1cc(Cl)c(C)c(S(=O)(=O)NCc2ccccn2)c1Cl
InChIInChI=1S/C14H14Cl2N2O2S/c1-9-7-12(15)10(2)14(13(9)16)21(19,20)18-8-11-5-3-4-6-17-11/h3-7,18H,8H2,1-2H3
InChIKeyWUVKESJTJCMIEL-UHFFFAOYSA-N
XLogP3.48
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.25
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-fluoro-2,6-dimethyl-N-(pyridin-2-ylmethyl)benzenesulfonamide
CID 107326525
6-amino-2,3-dimethyl-N-(pyridin-2-ylmethyl)benzenesulfonamide
CID 43257804
2,5-dichloro-N-(2-chloro-3-pyridinyl)-3,6-dimethylbenzenesulfonamide
CID 26969811
4-methyl-N-(pyridin-2-ylmethyl)benzenesulfonamide
CID 731623
5-chloro-2-fluoro-N-(pyridin-2-ylmethyl)benzenesulfonamide
CID 110759353
3,4-dichloro-2-ethoxy-N-(pyridin-2-ylmethyl)benzenesulfonamide
CID 1258403
N-(3-aminopropyl)-2,5-dichloro-3,6-dimethylbenzenesulfonamide
CID 43605726
3-(aminomethyl)-2,5-dichloro-N-(pyridin-2-ylmethyl)benzenesulfonamide
CID 107680363
3-[(2,5-dichloro-3,6-dimethylphenyl)sulfonylamino]propanoic acid
CID 43091501
3-amino-5-fluoro-4-methyl-N-(pyridin-2-ylmethyl)benzenesulfonamide
CID 116791368
5-amino-2-chloro-4-fluoro-N-(pyridin-2-ylmethyl)benzenesulfonamide
CID 61112651
5-methyl-3-(methylaminomethyl)-N-(pyridin-2-ylmethyl)-1H-pyrazole-4-sulfonamide
CID 107649220

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-3,6-dimethyl-N-(pyridin-2-ylmethyl)benzenesulfonamide?
The IUPAC name of 2,5-dichloro-3,6-dimethyl-N-(pyridin-2-ylmethyl)benzenesulfonamide (CID 40734479) is 2,5-dichloro-3,6-dimethyl-N-(pyridin-2-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 2,5-dichloro-3,6-dimethyl-N-(pyridin-2-ylmethyl)benzenesulfonamide?
The canonical SMILES for 2,5-dichloro-3,6-dimethyl-N-(pyridin-2-ylmethyl)benzenesulfonamide is Cc1cc(Cl)c(C)c(S(=O)(=O)NCc2ccccn2)c1Cl.
What is the InChIKey of 2,5-dichloro-3,6-dimethyl-N-(pyridin-2-ylmethyl)benzenesulfonamide?
The InChIKey is WUVKESJTJCMIEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14Cl2N2O2S/c1-9-7-12(15)10(2)14(13(9)16)21(19,20)18-8-11-5-3-4-6-17-11/h3-7,18H,8H2,1-2H3.
What are the key properties of 2,5-dichloro-3,6-dimethyl-N-(pyridin-2-ylmethyl)benzenesulfonamide?
2,5-dichloro-3,6-dimethyl-N-(pyridin-2-ylmethyl)benzenesulfonamide has a molecular weight of 345.25 g/mol, XLogP of 3.48, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-3,6-dimethyl-N-(pyridin-2-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 40734479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).