N-(1-adamantylmethyl)-5-chloronaphthalene-2-sulfonamide

C21H24ClNO2S — CID 54571729

IUPACN-(1-adamantylmethyl)-5-chloronaphthalene-2-sulfonamide
SMILESO=S(=O)(NCC12CC3CC(CC(C3)C1)C2)c1ccc2c(Cl)cccc2c1
InChIInChI=1S/C21H24ClNO2S/c22-20-3-1-2-17-9-18(4-5-19(17)20)26(24,25)23-13-21-10-14-6-15(11-21)8-16(7-14)12-21/h1-5,9,14-16,23H,6-8,10-13H2
InChIKeyZXTOZNJVMWODKO-UHFFFAOYSA-N
MW389.95 g/mol
LogP4.99
Rot. Bonds4

About N-(1-adamantylmethyl)-5-chloronaphthalene-2-sulfonamide

N-(1-adamantylmethyl)-5-chloronaphthalene-2-sulfonamide (PubChem CID 54571729) has the molecular formula C21H24ClNO2S and a molecular weight of 389.95 g/mol. Its IUPAC name is N-(1-adamantylmethyl)-5-chloronaphthalene-2-sulfonamide.

Molecular Properties

Compound NameN-(1-adamantylmethyl)-5-chloronaphthalene-2-sulfonamide
PubChem CID54571729
Molecular FormulaC21H24ClNO2S
Molecular Weight389.95 g/mol
Exact Mass389.12
IUPAC NameN-(1-adamantylmethyl)-5-chloronaphthalene-2-sulfonamide
SMILESO=S(=O)(NCC12CC3CC(CC(C3)C1)C2)c1ccc2c(Cl)cccc2c1
InChIInChI=1S/C21H24ClNO2S/c22-20-3-1-2-17-9-18(4-5-19(17)20)26(24,25)23-13-21-10-14-6-15(11-21)8-16(7-14)12-21/h1-5,9,14-16,23H,6-8,10-13H2
InChIKeyZXTOZNJVMWODKO-UHFFFAOYSA-N
XLogP4.99
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.95
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-adamantylmethyl)-4-chlorobenzenesulfonamide
CID 19575240
N-(2-adamantyl)-5-chloronaphthalene-2-sulfonamide
CID 54290764
N-(1-adamantylmethyl)benzenesulfonamide
CID 22206704
N-(1-adamantylmethyl)-3-chloro-2-methylbenzenesulfonamide
CID 24891141
N-(1-adamantylmethyl)-3-cyanobenzenesulfonamide
CID 7509882
N-(4-aminobutyl)-5-chloronaphthalene-2-sulfonamide chloride
CID 71296961
N-(1-adamantylmethyl)-2-[(3,4-dichlorophenyl)sulfonylamino]acetamide
CID 4840253
4-(1-adamantylmethylsulfamoyl)benzamide
CID 86911830
N-(2-adamantyl)-5-chloro-N-(3-hydroxypropyl)naphthalene-2-sulfonamide
CID 19708721
N-(1-adamantylmethyl)-2-bromobenzenesulfonamide
CID 3687690
N-(1-adamantylmethyl)-2,3,5,6-tetramethylbenzenesulfonamide
CID 7937592
5-(1-adamantylmethylsulfamoyl)-N-benzyl-2,4-dichlorobenzamide
CID 5301035

Frequently Asked Questions

What is the IUPAC name of N-(1-adamantylmethyl)-5-chloronaphthalene-2-sulfonamide?
The IUPAC name of N-(1-adamantylmethyl)-5-chloronaphthalene-2-sulfonamide (CID 54571729) is N-(1-adamantylmethyl)-5-chloronaphthalene-2-sulfonamide.
What is the SMILES notation for N-(1-adamantylmethyl)-5-chloronaphthalene-2-sulfonamide?
The canonical SMILES for N-(1-adamantylmethyl)-5-chloronaphthalene-2-sulfonamide is O=S(=O)(NCC12CC3CC(CC(C3)C1)C2)c1ccc2c(Cl)cccc2c1.
What is the InChIKey of N-(1-adamantylmethyl)-5-chloronaphthalene-2-sulfonamide?
The InChIKey is ZXTOZNJVMWODKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24ClNO2S/c22-20-3-1-2-17-9-18(4-5-19(17)20)26(24,25)23-13-21-10-14-6-15(11-21)8-16(7-14)12-21/h1-5,9,14-16,23H,6-8,10-13H2.
What are the key properties of N-(1-adamantylmethyl)-5-chloronaphthalene-2-sulfonamide?
N-(1-adamantylmethyl)-5-chloronaphthalene-2-sulfonamide has a molecular weight of 389.95 g/mol, XLogP of 4.99, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantylmethyl)-5-chloronaphthalene-2-sulfonamide is sourced from PubChem (CID 54571729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).