N-chloro-N-(6-cyclopropyl-2-pyridinyl)-3-methylbenzenesulfonamide

C15H15ClN2O2S — CID 142757688

IUPACN-chloro-N-(6-cyclopropyl-2-pyridinyl)-3-methylbenzenesulfonamide
SMILESCc1cccc(S(=O)(=O)N(Cl)c2cccc(C3CC3)n2)c1
InChIInChI=1S/C15H15ClN2O2S/c1-11-4-2-5-13(10-11)21(19,20)18(16)15-7-3-6-14(17-15)12-8-9-12/h2-7,10,12H,8-9H2,1H3
InChIKeyFGILBIJGANZILV-UHFFFAOYSA-N
MW322.82 g/mol
LogP3.62
Rot. Bonds4

About N-chloro-N-(6-cyclopropyl-2-pyridinyl)-3-methylbenzenesulfonamide

N-chloro-N-(6-cyclopropyl-2-pyridinyl)-3-methylbenzenesulfonamide (PubChem CID 142757688) has the molecular formula C15H15ClN2O2S and a molecular weight of 322.82 g/mol. Its IUPAC name is N-chloro-N-(6-cyclopropyl-2-pyridinyl)-3-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-chloro-N-(6-cyclopropyl-2-pyridinyl)-3-methylbenzenesulfonamide
PubChem CID142757688
Molecular FormulaC15H15ClN2O2S
Molecular Weight322.82 g/mol
Exact Mass322.05
IUPAC NameN-chloro-N-(6-cyclopropyl-2-pyridinyl)-3-methylbenzenesulfonamide
SMILESCc1cccc(S(=O)(=O)N(Cl)c2cccc(C3CC3)n2)c1
InChIInChI=1S/C15H15ClN2O2S/c1-11-4-2-5-13(10-11)21(19,20)18(16)15-7-3-6-14(17-15)12-8-9-12/h2-7,10,12H,8-9H2,1H3
InChIKeyFGILBIJGANZILV-UHFFFAOYSA-N
XLogP3.62
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.82
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-chloro-N-(6-cyclopropyl-2-pyridinyl)-3-methylbenzenesulfonamide?
The IUPAC name of N-chloro-N-(6-cyclopropyl-2-pyridinyl)-3-methylbenzenesulfonamide (CID 142757688) is N-chloro-N-(6-cyclopropyl-2-pyridinyl)-3-methylbenzenesulfonamide.
What is the SMILES notation for N-chloro-N-(6-cyclopropyl-2-pyridinyl)-3-methylbenzenesulfonamide?
The canonical SMILES for N-chloro-N-(6-cyclopropyl-2-pyridinyl)-3-methylbenzenesulfonamide is Cc1cccc(S(=O)(=O)N(Cl)c2cccc(C3CC3)n2)c1.
What is the InChIKey of N-chloro-N-(6-cyclopropyl-2-pyridinyl)-3-methylbenzenesulfonamide?
The InChIKey is FGILBIJGANZILV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O2S/c1-11-4-2-5-13(10-11)21(19,20)18(16)15-7-3-6-14(17-15)12-8-9-12/h2-7,10,12H,8-9H2,1H3.
What are the key properties of N-chloro-N-(6-cyclopropyl-2-pyridinyl)-3-methylbenzenesulfonamide?
N-chloro-N-(6-cyclopropyl-2-pyridinyl)-3-methylbenzenesulfonamide has a molecular weight of 322.82 g/mol, XLogP of 3.62, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-chloro-N-(6-cyclopropyl-2-pyridinyl)-3-methylbenzenesulfonamide is sourced from PubChem (CID 142757688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).