5-(aminomethyl)-2,4-dichloro-N-(2-methyl-4-pyridinyl)benzenesulfonamide

C13H13Cl2N3O2S — CID 106071273

IUPAC5-(aminomethyl)-2,4-dichloro-N-(2-methyl-4-pyridinyl)benzenesulfonamide
SMILESCc1cc(NS(=O)(=O)c2cc(CN)c(Cl)cc2Cl)ccn1
InChIInChI=1S/C13H13Cl2N3O2S/c1-8-4-10(2-3-17-8)18-21(19,20)13-5-9(7-16)11(14)6-12(13)15/h2-6H,7,16H2,1H3,(H,17,18)
InChIKeyQYIUEWJAOIKVEB-UHFFFAOYSA-N
MW346.24 g/mol
LogP2.96
Rot. Bonds4

About 5-(aminomethyl)-2,4-dichloro-N-(2-methyl-4-pyridinyl)benzenesulfonamide

5-(aminomethyl)-2,4-dichloro-N-(2-methyl-4-pyridinyl)benzenesulfonamide (PubChem CID 106071273) has the molecular formula C13H13Cl2N3O2S and a molecular weight of 346.24 g/mol. Its IUPAC name is 5-(aminomethyl)-2,4-dichloro-N-(2-methyl-4-pyridinyl)benzenesulfonamide.

Molecular Properties

Compound Name5-(aminomethyl)-2,4-dichloro-N-(2-methyl-4-pyridinyl)benzenesulfonamide
PubChem CID106071273
Molecular FormulaC13H13Cl2N3O2S
Molecular Weight346.24 g/mol
Exact Mass345.01
IUPAC Name5-(aminomethyl)-2,4-dichloro-N-(2-methyl-4-pyridinyl)benzenesulfonamide
SMILESCc1cc(NS(=O)(=O)c2cc(CN)c(Cl)cc2Cl)ccn1
InChIInChI=1S/C13H13Cl2N3O2S/c1-8-4-10(2-3-17-8)18-21(19,20)13-5-9(7-16)11(14)6-12(13)15/h2-6H,7,16H2,1H3,(H,17,18)
InChIKeyQYIUEWJAOIKVEB-UHFFFAOYSA-N
XLogP2.96
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.24
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(aminomethyl)-2,4-dimethyl-N-(2-methyl-4-pyridinyl)benzenesulfonamide
CID 106071279
5-(aminomethyl)-2,4-dichloro-N-pyrimidin-2-ylbenzenesulfonamide
CID 106071940
3-(aminomethyl)-5-bromo-2-fluoro-N-(2-methyl-4-pyridinyl)benzenesulfonamide
CID 106071278
5-(aminomethyl)-2,4-dichloro-N-(3-fluorophenyl)benzenesulfonamide
CID 106060630
3-(aminomethyl)-4-ethyl-N-(2-methyl-4-pyridinyl)benzenesulfonamide
CID 106071272
2-chloro-4-methoxy-N-(2-methyl-4-pyridinyl)benzenesulfonamide
CID 110758843
4-amino-2,6-dichloro-N-(2-methyl-4-pyridinyl)benzenesulfonamide
CID 79234681
5-(aminomethyl)-N-(2-methyl-4-pyridinyl)thiophene-2-sulfonamide
CID 79240386
2-methyl-N-(2-methyl-4-pyridinyl)benzenesulfonamide
CID 78955887
2-hydrazinyl-N-(2-methyl-4-pyridinyl)benzenesulfonamide
CID 79240880
2-(aminomethyl)-4-methyl-N-(2-methyl-4-pyridinyl)thiophene-3-sulfonamide
CID 106071250
5-chloro-6-hydrazinyl-N-(2-methyl-4-pyridinyl)pyridine-3-sulfonamide
CID 79240791

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-2,4-dichloro-N-(2-methyl-4-pyridinyl)benzenesulfonamide?
The IUPAC name of 5-(aminomethyl)-2,4-dichloro-N-(2-methyl-4-pyridinyl)benzenesulfonamide (CID 106071273) is 5-(aminomethyl)-2,4-dichloro-N-(2-methyl-4-pyridinyl)benzenesulfonamide.
What is the SMILES notation for 5-(aminomethyl)-2,4-dichloro-N-(2-methyl-4-pyridinyl)benzenesulfonamide?
The canonical SMILES for 5-(aminomethyl)-2,4-dichloro-N-(2-methyl-4-pyridinyl)benzenesulfonamide is Cc1cc(NS(=O)(=O)c2cc(CN)c(Cl)cc2Cl)ccn1.
What is the InChIKey of 5-(aminomethyl)-2,4-dichloro-N-(2-methyl-4-pyridinyl)benzenesulfonamide?
The InChIKey is QYIUEWJAOIKVEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13Cl2N3O2S/c1-8-4-10(2-3-17-8)18-21(19,20)13-5-9(7-16)11(14)6-12(13)15/h2-6H,7,16H2,1H3,(H,17,18).
What are the key properties of 5-(aminomethyl)-2,4-dichloro-N-(2-methyl-4-pyridinyl)benzenesulfonamide?
5-(aminomethyl)-2,4-dichloro-N-(2-methyl-4-pyridinyl)benzenesulfonamide has a molecular weight of 346.24 g/mol, XLogP of 2.96, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-2,4-dichloro-N-(2-methyl-4-pyridinyl)benzenesulfonamide is sourced from PubChem (CID 106071273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).