6-chloro-4-(3,4-dihydro-2H-chromen-4-ylsulfonyl)pyridin-2-amine

C14H13ClN2O3S — CID 158970236

IUPAC6-chloro-4-(3,4-dihydro-2H-chromen-4-ylsulfonyl)pyridin-2-amine
SMILESNc1cc(S(=O)(=O)C2CCOc3ccccc32)cc(Cl)n1
InChIInChI=1S/C14H13ClN2O3S/c15-13-7-9(8-14(16)17-13)21(18,19)12-5-6-20-11-4-2-1-3-10(11)12/h1-4,7-8,12H,5-6H2,(H2,16,17)
InChIKeyKDWLREODNRKSMH-UHFFFAOYSA-N
MW324.79 g/mol
LogP2.61
Rot. Bonds2

About 6-chloro-4-(3,4-dihydro-2H-chromen-4-ylsulfonyl)pyridin-2-amine

6-chloro-4-(3,4-dihydro-2H-chromen-4-ylsulfonyl)pyridin-2-amine (PubChem CID 158970236) has the molecular formula C14H13ClN2O3S and a molecular weight of 324.79 g/mol. Its IUPAC name is 6-chloro-4-(3,4-dihydro-2H-chromen-4-ylsulfonyl)pyridin-2-amine.

Molecular Properties

Compound Name6-chloro-4-(3,4-dihydro-2H-chromen-4-ylsulfonyl)pyridin-2-amine
PubChem CID158970236
Molecular FormulaC14H13ClN2O3S
Molecular Weight324.79 g/mol
Exact Mass324.03
IUPAC Name6-chloro-4-(3,4-dihydro-2H-chromen-4-ylsulfonyl)pyridin-2-amine
SMILESNc1cc(S(=O)(=O)C2CCOc3ccccc32)cc(Cl)n1
InChIInChI=1S/C14H13ClN2O3S/c15-13-7-9(8-14(16)17-13)21(18,19)12-5-6-20-11-4-2-1-3-10(11)12/h1-4,7-8,12H,5-6H2,(H2,16,17)
InChIKeyKDWLREODNRKSMH-UHFFFAOYSA-N
XLogP2.61
TPSA82.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.79
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-(3,4-dihydro-2H-chromen-4-ylsulfonyl)pyridin-2-amine?
The IUPAC name of 6-chloro-4-(3,4-dihydro-2H-chromen-4-ylsulfonyl)pyridin-2-amine (CID 158970236) is 6-chloro-4-(3,4-dihydro-2H-chromen-4-ylsulfonyl)pyridin-2-amine.
What is the SMILES notation for 6-chloro-4-(3,4-dihydro-2H-chromen-4-ylsulfonyl)pyridin-2-amine?
The canonical SMILES for 6-chloro-4-(3,4-dihydro-2H-chromen-4-ylsulfonyl)pyridin-2-amine is Nc1cc(S(=O)(=O)C2CCOc3ccccc32)cc(Cl)n1.
What is the InChIKey of 6-chloro-4-(3,4-dihydro-2H-chromen-4-ylsulfonyl)pyridin-2-amine?
The InChIKey is KDWLREODNRKSMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN2O3S/c15-13-7-9(8-14(16)17-13)21(18,19)12-5-6-20-11-4-2-1-3-10(11)12/h1-4,7-8,12H,5-6H2,(H2,16,17).
What are the key properties of 6-chloro-4-(3,4-dihydro-2H-chromen-4-ylsulfonyl)pyridin-2-amine?
6-chloro-4-(3,4-dihydro-2H-chromen-4-ylsulfonyl)pyridin-2-amine has a molecular weight of 324.79 g/mol, XLogP of 2.61, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-(3,4-dihydro-2H-chromen-4-ylsulfonyl)pyridin-2-amine is sourced from PubChem (CID 158970236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).