N-[4-(1-adamantyl)-1,3-thiazol-2-yl]benzenesulfonamide

C19H22N2O2S2 — CID 11595919

IUPACN-[4-(1-adamantyl)-1,3-thiazol-2-yl]benzenesulfonamide
SMILESO=S(=O)(Nc1nc(C23CC4CC(CC(C4)C2)C3)cs1)c1ccccc1
InChIInChI=1S/C19H22N2O2S2/c22-25(23,16-4-2-1-3-5-16)21-18-20-17(12-24-18)19-9-13-6-14(10-19)8-15(7-13)11-19/h1-5,12-15H,6-11H2,(H,20,21)
InChIKeyZUWUDNRXUMBMKO-UHFFFAOYSA-N
MW374.53 g/mol
LogP4.41
Rot. Bonds4

About N-[4-(1-adamantyl)-1,3-thiazol-2-yl]benzenesulfonamide

N-[4-(1-adamantyl)-1,3-thiazol-2-yl]benzenesulfonamide (PubChem CID 11595919) has the molecular formula C19H22N2O2S2 and a molecular weight of 374.53 g/mol. Its IUPAC name is N-[4-(1-adamantyl)-1,3-thiazol-2-yl]benzenesulfonamide.

Molecular Properties

Compound NameN-[4-(1-adamantyl)-1,3-thiazol-2-yl]benzenesulfonamide
PubChem CID11595919
Molecular FormulaC19H22N2O2S2
Molecular Weight374.53 g/mol
Exact Mass374.11
IUPAC NameN-[4-(1-adamantyl)-1,3-thiazol-2-yl]benzenesulfonamide
SMILESO=S(=O)(Nc1nc(C23CC4CC(CC(C4)C2)C3)cs1)c1ccccc1
InChIInChI=1S/C19H22N2O2S2/c22-25(23,16-4-2-1-3-5-16)21-18-20-17(12-24-18)19-9-13-6-14(10-19)8-15(7-13)11-19/h1-5,12-15H,6-11H2,(H,20,21)
InChIKeyZUWUDNRXUMBMKO-UHFFFAOYSA-N
XLogP4.41
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.53
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(1-adamantyl)-1,3-thiazol-2-yl]-4-bromobenzenesulfonamide
CID 11546953
N-[4-(1-adamantyl)-1,3-thiazol-2-yl]-2,3,4-trichlorobenzenesulfonamide
CID 11605361
N-[4-(1-adamantyl)-1,3-thiazol-2-yl]-5-bromo-6-chloropyridine-3-sulfonamide
CID 11656083
[[4-(1-adamantyl)-1,3-thiazol-2-yl]carbamoylamino]methyl-triphenylphosphanium
CID 4205633
4-phenyl-N-(4-phenyl-1,3-thiazol-2-yl)benzenesulfonamide
CID 10222134
N-[4-(1-adamantyl)-1,3-thiazol-2-yl]-2,3-dihydro-1,4-dioxine-5-carboxamide
CID 17404336
N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)benzenesulfonamide
CID 5234678
N-(1-adamantylmethyl)benzenesulfonamide
CID 22206704
N-[4-(1-adamantyl)-1,3-thiazol-2-yl]oxolane-2-carboxamide
CID 2971008
N-[(1S)-1-(1-adamantyl)ethyl]benzenesulfonamide
CID 40554657
4-[2-(benzenesulfonamido)-1,3-thiazol-4-yl]butanoic acid
CID 80655396
N-[4-[(5S,7S)-3-chloro-1-adamantyl]-1,3-thiazol-2-yl]-2-phenoxyacetamide
CID 98161330

Frequently Asked Questions

What is the IUPAC name of N-[4-(1-adamantyl)-1,3-thiazol-2-yl]benzenesulfonamide?
The IUPAC name of N-[4-(1-adamantyl)-1,3-thiazol-2-yl]benzenesulfonamide (CID 11595919) is N-[4-(1-adamantyl)-1,3-thiazol-2-yl]benzenesulfonamide.
What is the SMILES notation for N-[4-(1-adamantyl)-1,3-thiazol-2-yl]benzenesulfonamide?
The canonical SMILES for N-[4-(1-adamantyl)-1,3-thiazol-2-yl]benzenesulfonamide is O=S(=O)(Nc1nc(C23CC4CC(CC(C4)C2)C3)cs1)c1ccccc1.
What is the InChIKey of N-[4-(1-adamantyl)-1,3-thiazol-2-yl]benzenesulfonamide?
The InChIKey is ZUWUDNRXUMBMKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O2S2/c22-25(23,16-4-2-1-3-5-16)21-18-20-17(12-24-18)19-9-13-6-14(10-19)8-15(7-13)11-19/h1-5,12-15H,6-11H2,(H,20,21).
What are the key properties of N-[4-(1-adamantyl)-1,3-thiazol-2-yl]benzenesulfonamide?
N-[4-(1-adamantyl)-1,3-thiazol-2-yl]benzenesulfonamide has a molecular weight of 374.53 g/mol, XLogP of 4.41, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1-adamantyl)-1,3-thiazol-2-yl]benzenesulfonamide is sourced from PubChem (CID 11595919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).