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

C13H13Cl2N3O2S — CID 106030751

IUPAC3-(aminomethyl)-2,5-dichloro-N-(pyridin-3-ylmethyl)benzenesulfonamide
SMILESNCc1cc(Cl)cc(S(=O)(=O)NCc2cccnc2)c1Cl
InChIInChI=1S/C13H13Cl2N3O2S/c14-11-4-10(6-16)13(15)12(5-11)21(19,20)18-8-9-2-1-3-17-7-9/h1-5,7,18H,6,8,16H2
InChIKeyITCZKDAFTXJGNC-UHFFFAOYSA-N
MW346.24 g/mol
LogP2.33
Rot. Bonds5

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

3-(aminomethyl)-2,5-dichloro-N-(pyridin-3-ylmethyl)benzenesulfonamide (PubChem CID 106030751) has the molecular formula C13H13Cl2N3O2S and a molecular weight of 346.24 g/mol. Its IUPAC name is 3-(aminomethyl)-2,5-dichloro-N-(pyridin-3-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name3-(aminomethyl)-2,5-dichloro-N-(pyridin-3-ylmethyl)benzenesulfonamide
PubChem CID106030751
Molecular FormulaC13H13Cl2N3O2S
Molecular Weight346.24 g/mol
Exact Mass345.01
IUPAC Name3-(aminomethyl)-2,5-dichloro-N-(pyridin-3-ylmethyl)benzenesulfonamide
SMILESNCc1cc(Cl)cc(S(=O)(=O)NCc2cccnc2)c1Cl
InChIInChI=1S/C13H13Cl2N3O2S/c14-11-4-10(6-16)13(15)12(5-11)21(19,20)18-8-9-2-1-3-17-7-9/h1-5,7,18H,6,8,16H2
InChIKeyITCZKDAFTXJGNC-UHFFFAOYSA-N
XLogP2.33
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.24
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(aminomethyl)-2,5-dichloro-N-(pyridazin-3-ylmethyl)benzenesulfonamide
CID 106089456
2,5-dichloro-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 660168
3-(aminomethyl)-2,5-dichloro-N-(pyridin-2-ylmethyl)benzenesulfonamide
CID 107680363
4-chloro-2-fluoro-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 26947494
5-chloro-2-methoxy-3-methyl-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 110758481
4-(aminomethyl)-2-bromo-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 106030727
5-(aminomethyl)-2-bromo-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 106030802
3-(aminomethyl)-2,5-dichloro-N-pyrimidin-2-ylbenzenesulfonamide
CID 106071897
4-(aminomethyl)-2-methoxy-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 106030823
4,5-dichloro-N-(pyridin-3-ylmethyl)thiophene-2-sulfonamide
CID 6737013
5-amino-2,4-dimethyl-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 59436024
4-chloro-3-(pyridin-3-ylmethylsulfamoyl)benzoic acid
CID 2411456

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-2,5-dichloro-N-(pyridin-3-ylmethyl)benzenesulfonamide?
The IUPAC name of 3-(aminomethyl)-2,5-dichloro-N-(pyridin-3-ylmethyl)benzenesulfonamide (CID 106030751) is 3-(aminomethyl)-2,5-dichloro-N-(pyridin-3-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 3-(aminomethyl)-2,5-dichloro-N-(pyridin-3-ylmethyl)benzenesulfonamide?
The canonical SMILES for 3-(aminomethyl)-2,5-dichloro-N-(pyridin-3-ylmethyl)benzenesulfonamide is NCc1cc(Cl)cc(S(=O)(=O)NCc2cccnc2)c1Cl.
What is the InChIKey of 3-(aminomethyl)-2,5-dichloro-N-(pyridin-3-ylmethyl)benzenesulfonamide?
The InChIKey is ITCZKDAFTXJGNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13Cl2N3O2S/c14-11-4-10(6-16)13(15)12(5-11)21(19,20)18-8-9-2-1-3-17-7-9/h1-5,7,18H,6,8,16H2.
What are the key properties of 3-(aminomethyl)-2,5-dichloro-N-(pyridin-3-ylmethyl)benzenesulfonamide?
3-(aminomethyl)-2,5-dichloro-N-(pyridin-3-ylmethyl)benzenesulfonamide has a molecular weight of 346.24 g/mol, XLogP of 2.33, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-2,5-dichloro-N-(pyridin-3-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 106030751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).