4-chloro-N-(propylsulfamoyl)pyridin-2-amine

C8H12ClN3O2S — CID 114813663

IUPAC4-chloro-N-(propylsulfamoyl)pyridin-2-amine
SMILESCCCNS(=O)(=O)Nc1cc(Cl)ccn1
InChIInChI=1S/C8H12ClN3O2S/c1-2-4-11-15(13,14)12-8-6-7(9)3-5-10-8/h3,5-6,11H,2,4H2,1H3,(H,10,12)
InChIKeyYXOKQAVELUUKCD-UHFFFAOYSA-N
MW249.72 g/mol
LogP1.39
Rot. Bonds5

About 4-chloro-N-(propylsulfamoyl)pyridin-2-amine

4-chloro-N-(propylsulfamoyl)pyridin-2-amine (PubChem CID 114813663) has the molecular formula C8H12ClN3O2S and a molecular weight of 249.72 g/mol. Its IUPAC name is 4-chloro-N-(propylsulfamoyl)pyridin-2-amine.

Molecular Properties

Compound Name4-chloro-N-(propylsulfamoyl)pyridin-2-amine
PubChem CID114813663
Molecular FormulaC8H12ClN3O2S
Molecular Weight249.72 g/mol
Exact Mass249.03
IUPAC Name4-chloro-N-(propylsulfamoyl)pyridin-2-amine
SMILESCCCNS(=O)(=O)Nc1cc(Cl)ccn1
InChIInChI=1S/C8H12ClN3O2S/c1-2-4-11-15(13,14)12-8-6-7(9)3-5-10-8/h3,5-6,11H,2,4H2,1H3,(H,10,12)
InChIKeyYXOKQAVELUUKCD-UHFFFAOYSA-N
XLogP1.39
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.72
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 10439
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2-Amino-3-chloropyridine
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N,N-dimethyl-N'-(2-pyridinyl)sulfamide
CID 304350
N-(pyridin-2-yl)methanesulfonamide
CID 2831904
4-chloro-N-(pyridin-2-yl)benzenesulfonamide
CID 224199
2-Allylaminopyridine
CID 260916
N-(5-chloropyridin-2-yl)benzenesulfonamide
CID 555746
2-Aminopyridine hydrochloride
CID 208632
Urea, 1-(5-chloro-2-pyridyl)-3-methyl-
CID 99418

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(propylsulfamoyl)pyridin-2-amine?
The IUPAC name of 4-chloro-N-(propylsulfamoyl)pyridin-2-amine (CID 114813663) is 4-chloro-N-(propylsulfamoyl)pyridin-2-amine.
What is the SMILES notation for 4-chloro-N-(propylsulfamoyl)pyridin-2-amine?
The canonical SMILES for 4-chloro-N-(propylsulfamoyl)pyridin-2-amine is CCCNS(=O)(=O)Nc1cc(Cl)ccn1.
What is the InChIKey of 4-chloro-N-(propylsulfamoyl)pyridin-2-amine?
The InChIKey is YXOKQAVELUUKCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12ClN3O2S/c1-2-4-11-15(13,14)12-8-6-7(9)3-5-10-8/h3,5-6,11H,2,4H2,1H3,(H,10,12).
What are the key properties of 4-chloro-N-(propylsulfamoyl)pyridin-2-amine?
4-chloro-N-(propylsulfamoyl)pyridin-2-amine has a molecular weight of 249.72 g/mol, XLogP of 1.39, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(propylsulfamoyl)pyridin-2-amine is sourced from PubChem (CID 114813663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).