N-cyclopropyl-N-[2-(2,6-dichlorophenoxy)ethyl]pyridine-3-sulfonamide

C16H16Cl2N2O3S — CID 55603342

IUPACN-cyclopropyl-N-[2-(2,6-dichlorophenoxy)ethyl]pyridine-3-sulfonamide
SMILESO=S(=O)(c1cccnc1)N(CCOc1c(Cl)cccc1Cl)C1CC1
InChIInChI=1S/C16H16Cl2N2O3S/c17-14-4-1-5-15(18)16(14)23-10-9-20(12-6-7-12)24(21,22)13-3-2-8-19-11-13/h1-5,8,11-12H,6-7,9-10H2
InChIKeyYKDMUAHCVOIZMN-UHFFFAOYSA-N
MW387.29 g/mol
LogP3.62
Rot. Bonds7

About N-cyclopropyl-N-[2-(2,6-dichlorophenoxy)ethyl]pyridine-3-sulfonamide

N-cyclopropyl-N-[2-(2,6-dichlorophenoxy)ethyl]pyridine-3-sulfonamide (PubChem CID 55603342) has the molecular formula C16H16Cl2N2O3S and a molecular weight of 387.29 g/mol. Its IUPAC name is N-cyclopropyl-N-[2-(2,6-dichlorophenoxy)ethyl]pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-cyclopropyl-N-[2-(2,6-dichlorophenoxy)ethyl]pyridine-3-sulfonamide
PubChem CID55603342
Molecular FormulaC16H16Cl2N2O3S
Molecular Weight387.29 g/mol
Exact Mass386.03
IUPAC NameN-cyclopropyl-N-[2-(2,6-dichlorophenoxy)ethyl]pyridine-3-sulfonamide
SMILESO=S(=O)(c1cccnc1)N(CCOc1c(Cl)cccc1Cl)C1CC1
InChIInChI=1S/C16H16Cl2N2O3S/c17-14-4-1-5-15(18)16(14)23-10-9-20(12-6-7-12)24(21,22)13-3-2-8-19-11-13/h1-5,8,11-12H,6-7,9-10H2
InChIKeyYKDMUAHCVOIZMN-UHFFFAOYSA-N
XLogP3.62
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.29
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-[2-(2,6-dichlorophenoxy)ethyl]pyridine-3-sulfonamide?
The IUPAC name of N-cyclopropyl-N-[2-(2,6-dichlorophenoxy)ethyl]pyridine-3-sulfonamide (CID 55603342) is N-cyclopropyl-N-[2-(2,6-dichlorophenoxy)ethyl]pyridine-3-sulfonamide.
What is the SMILES notation for N-cyclopropyl-N-[2-(2,6-dichlorophenoxy)ethyl]pyridine-3-sulfonamide?
The canonical SMILES for N-cyclopropyl-N-[2-(2,6-dichlorophenoxy)ethyl]pyridine-3-sulfonamide is O=S(=O)(c1cccnc1)N(CCOc1c(Cl)cccc1Cl)C1CC1.
What is the InChIKey of N-cyclopropyl-N-[2-(2,6-dichlorophenoxy)ethyl]pyridine-3-sulfonamide?
The InChIKey is YKDMUAHCVOIZMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Cl2N2O3S/c17-14-4-1-5-15(18)16(14)23-10-9-20(12-6-7-12)24(21,22)13-3-2-8-19-11-13/h1-5,8,11-12H,6-7,9-10H2.
What are the key properties of N-cyclopropyl-N-[2-(2,6-dichlorophenoxy)ethyl]pyridine-3-sulfonamide?
N-cyclopropyl-N-[2-(2,6-dichlorophenoxy)ethyl]pyridine-3-sulfonamide has a molecular weight of 387.29 g/mol, XLogP of 3.62, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-[2-(2,6-dichlorophenoxy)ethyl]pyridine-3-sulfonamide is sourced from PubChem (CID 55603342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).