N-(5-chloro-2-pyridinyl)-2-methoxy-5-propan-2-ylbenzenesulfonamide

C15H17ClN2O3S — CID 648225

IUPACN-(5-chloro-2-pyridinyl)-2-methoxy-5-propan-2-ylbenzenesulfonamide
SMILESCOc1ccc(C(C)C)cc1S(=O)(=O)Nc1ccc(Cl)cn1
InChIInChI=1S/C15H17ClN2O3S/c1-10(2)11-4-6-13(21-3)14(8-11)22(19,20)18-15-7-5-12(16)9-17-15/h4-10H,1-3H3,(H,17,18)
InChIKeyXNYRYSBNCKGQLI-UHFFFAOYSA-N
MW340.83 g/mol
LogP3.67
Rot. Bonds5

About N-(5-chloro-2-pyridinyl)-2-methoxy-5-propan-2-ylbenzenesulfonamide

N-(5-chloro-2-pyridinyl)-2-methoxy-5-propan-2-ylbenzenesulfonamide (PubChem CID 648225) has the molecular formula C15H17ClN2O3S and a molecular weight of 340.83 g/mol. Its IUPAC name is N-(5-chloro-2-pyridinyl)-2-methoxy-5-propan-2-ylbenzenesulfonamide.

Molecular Properties

Compound NameN-(5-chloro-2-pyridinyl)-2-methoxy-5-propan-2-ylbenzenesulfonamide
PubChem CID648225
Molecular FormulaC15H17ClN2O3S
Molecular Weight340.83 g/mol
Exact Mass340.06
IUPAC NameN-(5-chloro-2-pyridinyl)-2-methoxy-5-propan-2-ylbenzenesulfonamide
SMILESCOc1ccc(C(C)C)cc1S(=O)(=O)Nc1ccc(Cl)cn1
InChIInChI=1S/C15H17ClN2O3S/c1-10(2)11-4-6-13(21-3)14(8-11)22(19,20)18-15-7-5-12(16)9-17-15/h4-10H,1-3H3,(H,17,18)
InChIKeyXNYRYSBNCKGQLI-UHFFFAOYSA-N
XLogP3.67
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.83
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-[2-(4-Methoxyphenyl)ethylamino]pyridine-3-sulfonamide
CID 9405815
N-(5-Chloro-pyridin-2-yl)-4-ethoxy-2,5-dimethyl-benzenesulfonamide
CID 653931
2-methoxy-5-propan-2-yl-N-(2-pyridinyl)benzenesulfonamide
CID 977116
N-(5-Chloro-pyridin-2-yl)-4-methoxy-2,3-dimethyl-benzenesulfonamide
CID 646091
5-isopropyl-2-methoxy-N-(2-pyridinylmethyl)benzenesulfonamide
CID 850040
4-chloro-2,5-dimethoxy-N-(3-methyl-2-pyridinyl)benzenesulfonamide
CID 2236604
N-(5-chloro-2-pyridinyl)-2-ethoxy-5-methylbenzenesulfonamide
CID 2301906
2-methoxy-5-propan-2-yl-N-pyridin-4-ylbenzenesulfonamide
CID 2949561
4-[(4-methoxyphenyl)methylideneamino]-N-pyridin-2-ylbenzenesulfonamide
CID 45113143
4-methoxy-N-(5-methylpyridin-2-yl)benzenesulfonamide
CID 669659
4-methoxy-3-methyl-N-pyridin-2-ylbenzenesulfonamide
CID 741470
N-(5-chloropyridin-2-yl)-4-methoxybenzenesulfonamide
CID 759583

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-pyridinyl)-2-methoxy-5-propan-2-ylbenzenesulfonamide?
The IUPAC name of N-(5-chloro-2-pyridinyl)-2-methoxy-5-propan-2-ylbenzenesulfonamide (CID 648225) is N-(5-chloro-2-pyridinyl)-2-methoxy-5-propan-2-ylbenzenesulfonamide.
What is the SMILES notation for N-(5-chloro-2-pyridinyl)-2-methoxy-5-propan-2-ylbenzenesulfonamide?
The canonical SMILES for N-(5-chloro-2-pyridinyl)-2-methoxy-5-propan-2-ylbenzenesulfonamide is COc1ccc(C(C)C)cc1S(=O)(=O)Nc1ccc(Cl)cn1.
What is the InChIKey of N-(5-chloro-2-pyridinyl)-2-methoxy-5-propan-2-ylbenzenesulfonamide?
The InChIKey is XNYRYSBNCKGQLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O3S/c1-10(2)11-4-6-13(21-3)14(8-11)22(19,20)18-15-7-5-12(16)9-17-15/h4-10H,1-3H3,(H,17,18).
What are the key properties of N-(5-chloro-2-pyridinyl)-2-methoxy-5-propan-2-ylbenzenesulfonamide?
N-(5-chloro-2-pyridinyl)-2-methoxy-5-propan-2-ylbenzenesulfonamide has a molecular weight of 340.83 g/mol, XLogP of 3.67, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-pyridinyl)-2-methoxy-5-propan-2-ylbenzenesulfonamide is sourced from PubChem (CID 648225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).