4-(1-adamantyl)-N-(4-ethoxyphenyl)benzenesulfonamide

C24H29NO3S — CID 7938598

IUPAC4-(1-adamantyl)-N-(4-ethoxyphenyl)benzenesulfonamide
SMILESCCOc1ccc(NS(=O)(=O)c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)cc1
InChIInChI=1S/C24H29NO3S/c1-2-28-22-7-5-21(6-8-22)25-29(26,27)23-9-3-20(4-10-23)24-14-17-11-18(15-24)13-19(12-17)16-24/h3-10,17-19,25H,2,11-16H2,1H3
InChIKeyARTHYFASKRIAOF-UHFFFAOYSA-N
MW411.57 g/mol
LogP5.35
Rot. Bonds6

About 4-(1-adamantyl)-N-(4-ethoxyphenyl)benzenesulfonamide

4-(1-adamantyl)-N-(4-ethoxyphenyl)benzenesulfonamide (PubChem CID 7938598) has the molecular formula C24H29NO3S and a molecular weight of 411.57 g/mol. Its IUPAC name is 4-(1-adamantyl)-N-(4-ethoxyphenyl)benzenesulfonamide.

Molecular Properties

Compound Name4-(1-adamantyl)-N-(4-ethoxyphenyl)benzenesulfonamide
PubChem CID7938598
Molecular FormulaC24H29NO3S
Molecular Weight411.57 g/mol
Exact Mass411.19
IUPAC Name4-(1-adamantyl)-N-(4-ethoxyphenyl)benzenesulfonamide
SMILESCCOc1ccc(NS(=O)(=O)c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)cc1
InChIInChI=1S/C24H29NO3S/c1-2-28-22-7-5-21(6-8-22)25-29(26,27)23-9-3-20(4-10-23)24-14-17-11-18(15-24)13-19(12-17)16-24/h3-10,17-19,25H,2,11-16H2,1H3
InChIKeyARTHYFASKRIAOF-UHFFFAOYSA-N
XLogP5.35
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.57
LogP ≤ 55.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-ethoxy-N-(4-methylphenyl)benzenesulfonamide
CID 925010
4-ethoxy-N-(4-methoxyphenyl)benzenesulfonamide
CID 4202178
4-ethoxy-N-(4-fluorophenyl)benzenesulfonamide
CID 848328
ethyl 4-(1-adamantyl)benzenesulfonate
CID 141337891
N-cyclopentyl-1-[4-[(4-ethoxyphenyl)sulfonylamino]phenyl]cyclopropane-1-carboxamide
CID 50822210
N-[4-(4-ethoxyanilino)phenyl]-4-methoxybenzenesulfonamide
CID 112987708
4-ethoxy-N-(4-methylsulfanylphenyl)benzenesulfonamide
CID 8860403
N-(4-ethoxyphenyl)-4-prop-2-enoxybenzenesulfonamide
CID 141457924
2-[4-[(4-ethoxyphenyl)sulfonylamino]phenoxy]acetic acid
CID 1260151
N-[4-(azepan-1-ylsulfonyl)phenyl]-4-ethoxybenzenesulfonamide
CID 21372462
N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]-2,2,2-trifluoroacetamide
CID 1013172
ethyl N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]carbamate
CID 17147479

Frequently Asked Questions

What is the IUPAC name of 4-(1-adamantyl)-N-(4-ethoxyphenyl)benzenesulfonamide?
The IUPAC name of 4-(1-adamantyl)-N-(4-ethoxyphenyl)benzenesulfonamide (CID 7938598) is 4-(1-adamantyl)-N-(4-ethoxyphenyl)benzenesulfonamide.
What is the SMILES notation for 4-(1-adamantyl)-N-(4-ethoxyphenyl)benzenesulfonamide?
The canonical SMILES for 4-(1-adamantyl)-N-(4-ethoxyphenyl)benzenesulfonamide is CCOc1ccc(NS(=O)(=O)c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)cc1.
What is the InChIKey of 4-(1-adamantyl)-N-(4-ethoxyphenyl)benzenesulfonamide?
The InChIKey is ARTHYFASKRIAOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29NO3S/c1-2-28-22-7-5-21(6-8-22)25-29(26,27)23-9-3-20(4-10-23)24-14-17-11-18(15-24)13-19(12-17)16-24/h3-10,17-19,25H,2,11-16H2,1H3.
What are the key properties of 4-(1-adamantyl)-N-(4-ethoxyphenyl)benzenesulfonamide?
4-(1-adamantyl)-N-(4-ethoxyphenyl)benzenesulfonamide has a molecular weight of 411.57 g/mol, XLogP of 5.35, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-adamantyl)-N-(4-ethoxyphenyl)benzenesulfonamide is sourced from PubChem (CID 7938598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).