N-(1-adamantyl)-4-butylbenzenesulfonamide

C20H29NO2S — CID 19681549

IUPACN-(1-adamantyl)-4-butylbenzenesulfonamide
SMILESCCCCc1ccc(S(=O)(=O)NC23CC4CC(CC(C4)C2)C3)cc1
InChIInChI=1S/C20H29NO2S/c1-2-3-4-15-5-7-19(8-6-15)24(22,23)21-20-12-16-9-17(13-20)11-18(10-16)14-20/h5-8,16-18,21H,2-4,9-14H2,1H3
InChIKeyZXAKDVKLGUCLIX-UHFFFAOYSA-N
MW347.52 g/mol
LogP4.28
Rot. Bonds6

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

N-(1-adamantyl)-4-butylbenzenesulfonamide (PubChem CID 19681549) has the molecular formula C20H29NO2S and a molecular weight of 347.52 g/mol. Its IUPAC name is N-(1-adamantyl)-4-butylbenzenesulfonamide.

Molecular Properties

Compound NameN-(1-adamantyl)-4-butylbenzenesulfonamide
PubChem CID19681549
Molecular FormulaC20H29NO2S
Molecular Weight347.52 g/mol
Exact Mass347.19
IUPAC NameN-(1-adamantyl)-4-butylbenzenesulfonamide
SMILESCCCCc1ccc(S(=O)(=O)NC23CC4CC(CC(C4)C2)C3)cc1
InChIInChI=1S/C20H29NO2S/c1-2-3-4-15-5-7-19(8-6-15)24(22,23)21-20-12-16-9-17(13-20)11-18(10-16)14-20/h5-8,16-18,21H,2-4,9-14H2,1H3
InChIKeyZXAKDVKLGUCLIX-UHFFFAOYSA-N
XLogP4.28
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.52
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-(1-adamantyl)-2-[(4-butylphenyl)sulfonylamino]acetate
CID 7970952
N-(1-adamantyl)-4-propan-2-ylbenzenesulfonamide
CID 19681548
4-acetyl-N-(1-adamantyl)benzenesulfonamide
CID 7937979
4-butylbenzenesulfonohydrazide
CID 17255521
N'-(1-adamantyl)-N-(4-butylphenyl)oxamide
CID 108502507
1-[4-(1-adamantylsulfamoyl)phenyl]-3-(2-methylpropyl)thiourea
CID 19679134
N-(1,1-dimethylazetidin-1-ium-3-yl)-4-pentylbenzenesulfonamide
CID 68847871
N-(1-adamantyl)-4-(1-methyltetrazol-5-yl)benzenesulfonamide
CID 23541008
4-butyl-N-(2-butylphenyl)benzenesulfonamide
CID 22774370
4-butyl-N-prop-2-enylbenzenesulfonamide
CID 6470991
N-(1-adamantyl)-4-(1,3-dioxoisoindol-2-yl)benzenesulfonamide
CID 168519033
N-(1-adamantyl)-4-pentoxynaphthalene-1-sulfonamide
CID 170915645

Frequently Asked Questions

What is the IUPAC name of N-(1-adamantyl)-4-butylbenzenesulfonamide?
The IUPAC name of N-(1-adamantyl)-4-butylbenzenesulfonamide (CID 19681549) is N-(1-adamantyl)-4-butylbenzenesulfonamide.
What is the SMILES notation for N-(1-adamantyl)-4-butylbenzenesulfonamide?
The canonical SMILES for N-(1-adamantyl)-4-butylbenzenesulfonamide is CCCCc1ccc(S(=O)(=O)NC23CC4CC(CC(C4)C2)C3)cc1.
What is the InChIKey of N-(1-adamantyl)-4-butylbenzenesulfonamide?
The InChIKey is ZXAKDVKLGUCLIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29NO2S/c1-2-3-4-15-5-7-19(8-6-15)24(22,23)21-20-12-16-9-17(13-20)11-18(10-16)14-20/h5-8,16-18,21H,2-4,9-14H2,1H3.
What are the key properties of N-(1-adamantyl)-4-butylbenzenesulfonamide?
N-(1-adamantyl)-4-butylbenzenesulfonamide has a molecular weight of 347.52 g/mol, XLogP of 4.28, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantyl)-4-butylbenzenesulfonamide is sourced from PubChem (CID 19681549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).