N-(2-adamantyl)-5-chloronaphthalene-2-sulfonamide

C20H22ClNO2S — CID 54290764

IUPACN-(2-adamantyl)-5-chloronaphthalene-2-sulfonamide
SMILESO=S(=O)(NC1C2CC3CC(C2)CC1C3)c1ccc2c(Cl)cccc2c1
InChIInChI=1S/C20H22ClNO2S/c21-19-3-1-2-14-11-17(4-5-18(14)19)25(23,24)22-20-15-7-12-6-13(9-15)10-16(20)8-12/h1-5,11-13,15-16,20,22H,6-10H2
InChIKeyRXIMGOXFUKNNNW-UHFFFAOYSA-N
MW375.92 g/mol
LogP4.60
Rot. Bonds3

About N-(2-adamantyl)-5-chloronaphthalene-2-sulfonamide

N-(2-adamantyl)-5-chloronaphthalene-2-sulfonamide (PubChem CID 54290764) has the molecular formula C20H22ClNO2S and a molecular weight of 375.92 g/mol. Its IUPAC name is N-(2-adamantyl)-5-chloronaphthalene-2-sulfonamide.

Molecular Properties

Compound NameN-(2-adamantyl)-5-chloronaphthalene-2-sulfonamide
PubChem CID54290764
Molecular FormulaC20H22ClNO2S
Molecular Weight375.92 g/mol
Exact Mass375.11
IUPAC NameN-(2-adamantyl)-5-chloronaphthalene-2-sulfonamide
SMILESO=S(=O)(NC1C2CC3CC(C2)CC1C3)c1ccc2c(Cl)cccc2c1
InChIInChI=1S/C20H22ClNO2S/c21-19-3-1-2-14-11-17(4-5-18(14)19)25(23,24)22-20-15-7-12-6-13(9-15)10-16(20)8-12/h1-5,11-13,15-16,20,22H,6-10H2
InChIKeyRXIMGOXFUKNNNW-UHFFFAOYSA-N
XLogP4.60
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.92
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-adamantyl)-5-chloronaphthalene-2-sulfonamide?
The IUPAC name of N-(2-adamantyl)-5-chloronaphthalene-2-sulfonamide (CID 54290764) is N-(2-adamantyl)-5-chloronaphthalene-2-sulfonamide.
What is the SMILES notation for N-(2-adamantyl)-5-chloronaphthalene-2-sulfonamide?
The canonical SMILES for N-(2-adamantyl)-5-chloronaphthalene-2-sulfonamide is O=S(=O)(NC1C2CC3CC(C2)CC1C3)c1ccc2c(Cl)cccc2c1.
What is the InChIKey of N-(2-adamantyl)-5-chloronaphthalene-2-sulfonamide?
The InChIKey is RXIMGOXFUKNNNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClNO2S/c21-19-3-1-2-14-11-17(4-5-18(14)19)25(23,24)22-20-15-7-12-6-13(9-15)10-16(20)8-12/h1-5,11-13,15-16,20,22H,6-10H2.
What are the key properties of N-(2-adamantyl)-5-chloronaphthalene-2-sulfonamide?
N-(2-adamantyl)-5-chloronaphthalene-2-sulfonamide has a molecular weight of 375.92 g/mol, XLogP of 4.60, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-adamantyl)-5-chloronaphthalene-2-sulfonamide is sourced from PubChem (CID 54290764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).