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

C16H19ClN2O3S — CID 2234360

IUPACN-(5-chloro-2-pyridinyl)-2-ethoxy-5-propan-2-ylbenzenesulfonamide
SMILESCCOc1ccc(C(C)C)cc1S(=O)(=O)Nc1ccc(Cl)cn1
InChIInChI=1S/C16H19ClN2O3S/c1-4-22-14-7-5-12(11(2)3)9-15(14)23(20,21)19-16-8-6-13(17)10-18-16/h5-11H,4H2,1-3H3,(H,18,19)
InChIKeyYXPAAOVESZYQDF-UHFFFAOYSA-N
MW354.86 g/mol
LogP4.06
Rot. Bonds6

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

N-(5-chloro-2-pyridinyl)-2-ethoxy-5-propan-2-ylbenzenesulfonamide (PubChem CID 2234360) has the molecular formula C16H19ClN2O3S and a molecular weight of 354.86 g/mol. Its IUPAC name is N-(5-chloro-2-pyridinyl)-2-ethoxy-5-propan-2-ylbenzenesulfonamide.

Molecular Properties

Compound NameN-(5-chloro-2-pyridinyl)-2-ethoxy-5-propan-2-ylbenzenesulfonamide
PubChem CID2234360
Molecular FormulaC16H19ClN2O3S
Molecular Weight354.86 g/mol
Exact Mass354.08
IUPAC NameN-(5-chloro-2-pyridinyl)-2-ethoxy-5-propan-2-ylbenzenesulfonamide
SMILESCCOc1ccc(C(C)C)cc1S(=O)(=O)Nc1ccc(Cl)cn1
InChIInChI=1S/C16H19ClN2O3S/c1-4-22-14-7-5-12(11(2)3)9-15(14)23(20,21)19-16-8-6-13(17)10-18-16/h5-11H,4H2,1-3H3,(H,18,19)
InChIKeyYXPAAOVESZYQDF-UHFFFAOYSA-N
XLogP4.06
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.86
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-pyridinyl)-2-ethoxy-5-propan-2-ylbenzenesulfonamide?
The IUPAC name of N-(5-chloro-2-pyridinyl)-2-ethoxy-5-propan-2-ylbenzenesulfonamide (CID 2234360) is N-(5-chloro-2-pyridinyl)-2-ethoxy-5-propan-2-ylbenzenesulfonamide.
What is the SMILES notation for N-(5-chloro-2-pyridinyl)-2-ethoxy-5-propan-2-ylbenzenesulfonamide?
The canonical SMILES for N-(5-chloro-2-pyridinyl)-2-ethoxy-5-propan-2-ylbenzenesulfonamide is CCOc1ccc(C(C)C)cc1S(=O)(=O)Nc1ccc(Cl)cn1.
What is the InChIKey of N-(5-chloro-2-pyridinyl)-2-ethoxy-5-propan-2-ylbenzenesulfonamide?
The InChIKey is YXPAAOVESZYQDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2O3S/c1-4-22-14-7-5-12(11(2)3)9-15(14)23(20,21)19-16-8-6-13(17)10-18-16/h5-11H,4H2,1-3H3,(H,18,19).
What are the key properties of N-(5-chloro-2-pyridinyl)-2-ethoxy-5-propan-2-ylbenzenesulfonamide?
N-(5-chloro-2-pyridinyl)-2-ethoxy-5-propan-2-ylbenzenesulfonamide has a molecular weight of 354.86 g/mol, XLogP of 4.06, 6 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-ethoxy-5-propan-2-ylbenzenesulfonamide is sourced from PubChem (CID 2234360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).