2-chloro-N-(4-propan-2-ylphenyl)pyridine-3-sulfonamide

C14H15ClN2O2S — CID 43388271

IUPAC2-chloro-N-(4-propan-2-ylphenyl)pyridine-3-sulfonamide
SMILESCC(C)c1ccc(NS(=O)(=O)c2cccnc2Cl)cc1
InChIInChI=1S/C14H15ClN2O2S/c1-10(2)11-5-7-12(8-6-11)17-20(18,19)13-4-3-9-16-14(13)15/h3-10,17H,1-2H3
InChIKeyTZBCTDPNYJBTMJ-UHFFFAOYSA-N
MW310.81 g/mol
LogP3.66
Rot. Bonds4

About 2-chloro-N-(4-propan-2-ylphenyl)pyridine-3-sulfonamide

2-chloro-N-(4-propan-2-ylphenyl)pyridine-3-sulfonamide (PubChem CID 43388271) has the molecular formula C14H15ClN2O2S and a molecular weight of 310.81 g/mol. Its IUPAC name is 2-chloro-N-(4-propan-2-ylphenyl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name2-chloro-N-(4-propan-2-ylphenyl)pyridine-3-sulfonamide
PubChem CID43388271
Molecular FormulaC14H15ClN2O2S
Molecular Weight310.81 g/mol
Exact Mass310.05
IUPAC Name2-chloro-N-(4-propan-2-ylphenyl)pyridine-3-sulfonamide
SMILESCC(C)c1ccc(NS(=O)(=O)c2cccnc2Cl)cc1
InChIInChI=1S/C14H15ClN2O2S/c1-10(2)11-5-7-12(8-6-11)17-20(18,19)13-4-3-9-16-14(13)15/h3-10,17H,1-2H3
InChIKeyTZBCTDPNYJBTMJ-UHFFFAOYSA-N
XLogP3.66
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.81
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 2-chloro-N-(4-propan-2-ylphenyl)pyridine-3-sulfonamide?
The IUPAC name of 2-chloro-N-(4-propan-2-ylphenyl)pyridine-3-sulfonamide (CID 43388271) is 2-chloro-N-(4-propan-2-ylphenyl)pyridine-3-sulfonamide.
What is the SMILES notation for 2-chloro-N-(4-propan-2-ylphenyl)pyridine-3-sulfonamide?
The canonical SMILES for 2-chloro-N-(4-propan-2-ylphenyl)pyridine-3-sulfonamide is CC(C)c1ccc(NS(=O)(=O)c2cccnc2Cl)cc1.
What is the InChIKey of 2-chloro-N-(4-propan-2-ylphenyl)pyridine-3-sulfonamide?
The InChIKey is TZBCTDPNYJBTMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O2S/c1-10(2)11-5-7-12(8-6-11)17-20(18,19)13-4-3-9-16-14(13)15/h3-10,17H,1-2H3.
What are the key properties of 2-chloro-N-(4-propan-2-ylphenyl)pyridine-3-sulfonamide?
2-chloro-N-(4-propan-2-ylphenyl)pyridine-3-sulfonamide has a molecular weight of 310.81 g/mol, XLogP of 3.66, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(4-propan-2-ylphenyl)pyridine-3-sulfonamide is sourced from PubChem (CID 43388271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).