N-(1-adamantyl)-4-chlorobenzenesulfonamide

C16H20ClNO2S — CID 2886656

IUPACN-(1-adamantyl)-4-chlorobenzenesulfonamide
SMILESO=S(=O)(NC12CC3CC(CC(C3)C1)C2)c1ccc(Cl)cc1
InChIInChI=1S/C16H20ClNO2S/c17-14-1-3-15(4-2-14)21(19,20)18-16-8-11-5-12(9-16)7-13(6-11)10-16/h1-4,11-13,18H,5-10H2
InChIKeyRGIKVLYWGLARDH-UHFFFAOYSA-N
MW325.86 g/mol
LogP3.59
Rot. Bonds3

About N-(1-adamantyl)-4-chlorobenzenesulfonamide

N-(1-adamantyl)-4-chlorobenzenesulfonamide (PubChem CID 2886656) has the molecular formula C16H20ClNO2S and a molecular weight of 325.86 g/mol. Its IUPAC name is N-(1-adamantyl)-4-chlorobenzenesulfonamide.

Molecular Properties

Compound NameN-(1-adamantyl)-4-chlorobenzenesulfonamide
PubChem CID2886656
Molecular FormulaC16H20ClNO2S
Molecular Weight325.86 g/mol
Exact Mass325.09
IUPAC NameN-(1-adamantyl)-4-chlorobenzenesulfonamide
SMILESO=S(=O)(NC12CC3CC(CC(C3)C1)C2)c1ccc(Cl)cc1
InChIInChI=1S/C16H20ClNO2S/c17-14-1-3-15(4-2-14)21(19,20)18-16-8-11-5-12(9-16)7-13(6-11)10-16/h1-4,11-13,18H,5-10H2
InChIKeyRGIKVLYWGLARDH-UHFFFAOYSA-N
XLogP3.59
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.86
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(1-adamantyl)-4-chlorobenzenesulfonamide?
The IUPAC name of N-(1-adamantyl)-4-chlorobenzenesulfonamide (CID 2886656) is N-(1-adamantyl)-4-chlorobenzenesulfonamide.
What is the SMILES notation for N-(1-adamantyl)-4-chlorobenzenesulfonamide?
The canonical SMILES for N-(1-adamantyl)-4-chlorobenzenesulfonamide is O=S(=O)(NC12CC3CC(CC(C3)C1)C2)c1ccc(Cl)cc1.
What is the InChIKey of N-(1-adamantyl)-4-chlorobenzenesulfonamide?
The InChIKey is RGIKVLYWGLARDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClNO2S/c17-14-1-3-15(4-2-14)21(19,20)18-16-8-11-5-12(9-16)7-13(6-11)10-16/h1-4,11-13,18H,5-10H2.
What are the key properties of N-(1-adamantyl)-4-chlorobenzenesulfonamide?
N-(1-adamantyl)-4-chlorobenzenesulfonamide has a molecular weight of 325.86 g/mol, XLogP of 3.59, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantyl)-4-chlorobenzenesulfonamide is sourced from PubChem (CID 2886656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).