N-cyclopropyl-3-phenyl-N-pyridin-2-ylpropane-1-sulfonamide

C17H20N2O2S — CID 110723182

IUPACN-cyclopropyl-3-phenyl-N-pyridin-2-ylpropane-1-sulfonamide
SMILESO=S(=O)(CCCc1ccccc1)N(c1ccccn1)C1CC1
InChIInChI=1S/C17H20N2O2S/c20-22(21,14-6-9-15-7-2-1-3-8-15)19(16-11-12-16)17-10-4-5-13-18-17/h1-5,7-8,10,13,16H,6,9,11-12,14H2
InChIKeyQKMUUHUKBBYMIQ-UHFFFAOYSA-N
MW316.43 g/mol
LogP3.01
Rot. Bonds7

About N-cyclopropyl-3-phenyl-N-pyridin-2-ylpropane-1-sulfonamide

N-cyclopropyl-3-phenyl-N-pyridin-2-ylpropane-1-sulfonamide (PubChem CID 110723182) has the molecular formula C17H20N2O2S and a molecular weight of 316.43 g/mol. Its IUPAC name is N-cyclopropyl-3-phenyl-N-pyridin-2-ylpropane-1-sulfonamide.

Molecular Properties

Compound NameN-cyclopropyl-3-phenyl-N-pyridin-2-ylpropane-1-sulfonamide
PubChem CID110723182
Molecular FormulaC17H20N2O2S
Molecular Weight316.43 g/mol
Exact Mass316.12
IUPAC NameN-cyclopropyl-3-phenyl-N-pyridin-2-ylpropane-1-sulfonamide
SMILESO=S(=O)(CCCc1ccccc1)N(c1ccccn1)C1CC1
InChIInChI=1S/C17H20N2O2S/c20-22(21,14-6-9-15-7-2-1-3-8-15)19(16-11-12-16)17-10-4-5-13-18-17/h1-5,7-8,10,13,16H,6,9,11-12,14H2
InChIKeyQKMUUHUKBBYMIQ-UHFFFAOYSA-N
XLogP3.01
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.43
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-phenyl-N-pyridin-2-ylpropane-1-sulfonamide?
The IUPAC name of N-cyclopropyl-3-phenyl-N-pyridin-2-ylpropane-1-sulfonamide (CID 110723182) is N-cyclopropyl-3-phenyl-N-pyridin-2-ylpropane-1-sulfonamide.
What is the SMILES notation for N-cyclopropyl-3-phenyl-N-pyridin-2-ylpropane-1-sulfonamide?
The canonical SMILES for N-cyclopropyl-3-phenyl-N-pyridin-2-ylpropane-1-sulfonamide is O=S(=O)(CCCc1ccccc1)N(c1ccccn1)C1CC1.
What is the InChIKey of N-cyclopropyl-3-phenyl-N-pyridin-2-ylpropane-1-sulfonamide?
The InChIKey is QKMUUHUKBBYMIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2S/c20-22(21,14-6-9-15-7-2-1-3-8-15)19(16-11-12-16)17-10-4-5-13-18-17/h1-5,7-8,10,13,16H,6,9,11-12,14H2.
What are the key properties of N-cyclopropyl-3-phenyl-N-pyridin-2-ylpropane-1-sulfonamide?
N-cyclopropyl-3-phenyl-N-pyridin-2-ylpropane-1-sulfonamide has a molecular weight of 316.43 g/mol, XLogP of 3.01, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-phenyl-N-pyridin-2-ylpropane-1-sulfonamide is sourced from PubChem (CID 110723182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).