[4-(1-adamantyl)phenyl] N-(benzenesulfonyl)carbamate

C23H25NO4S — CID 4043567

IUPAC[4-(1-adamantyl)phenyl] N-(benzenesulfonyl)carbamate
SMILESO=C(NS(=O)(=O)c1ccccc1)Oc1ccc(C23CC4CC(CC(C4)C2)C3)cc1
InChIInChI=1S/C23H25NO4S/c25-22(24-29(26,27)21-4-2-1-3-5-21)28-20-8-6-19(7-9-20)23-13-16-10-17(14-23)12-18(11-16)15-23/h1-9,16-18H,10-15H2,(H,24,25)
InChIKeyDPVZESXNFMTYAL-UHFFFAOYSA-N
MW411.52 g/mol
LogP4.63
Rot. Bonds4

About [4-(1-adamantyl)phenyl] N-(benzenesulfonyl)carbamate

[4-(1-adamantyl)phenyl] N-(benzenesulfonyl)carbamate (PubChem CID 4043567) has the molecular formula C23H25NO4S and a molecular weight of 411.52 g/mol. Its IUPAC name is [4-(1-adamantyl)phenyl] N-(benzenesulfonyl)carbamate.

Molecular Properties

Compound Name[4-(1-adamantyl)phenyl] N-(benzenesulfonyl)carbamate
PubChem CID4043567
Molecular FormulaC23H25NO4S
Molecular Weight411.52 g/mol
Exact Mass411.15
IUPAC Name[4-(1-adamantyl)phenyl] N-(benzenesulfonyl)carbamate
SMILESO=C(NS(=O)(=O)c1ccccc1)Oc1ccc(C23CC4CC(CC(C4)C2)C3)cc1
InChIInChI=1S/C23H25NO4S/c25-22(24-29(26,27)21-4-2-1-3-5-21)28-20-8-6-19(7-9-20)23-13-16-10-17(14-23)12-18(11-16)15-23/h1-9,16-18H,10-15H2,(H,24,25)
InChIKeyDPVZESXNFMTYAL-UHFFFAOYSA-N
XLogP4.63
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.52
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(1-adamantyl)phenyl] N-propylcarbamate
CID 5154049
2-[[4-(1-adamantyl)phenyl]sulfonylamino]benzamide
CID 7939015
1-(1-adamantyl)-3-(benzenesulfonyl)thiourea
CID 20571166
phenyl N-(4-tert-butylphenyl)sulfonylcarbamate
CID 134553479
4-(1-adamantyl)benzenesulfonic acid
CID 58030638
methyl N-(benzenesulfonyl)carbamate
CID 676519
N-[4-(1-adamantyl)phenyl]-2-[benzenesulfonyl(methyl)amino]acetamide
CID 100698136
4-(1-adamantyl)-N-(4-ethoxyphenyl)benzenesulfonamide
CID 7938598
phenyl 4-(1-adamantyl)-N-benzoylbenzenecarboximidate
CID 101258973
N-[4-(1-adamantyl)phenyl]-1-(benzenesulfonyl)piperidine-4-carboxamide
CID 100644610
[4-(1-adamantylcarbamoyloxy)phenyl] N-(1-adamantyl)carbamate
CID 118586680
N-(1-adamantylmethyl)benzenesulfonamide
CID 22206704

Frequently Asked Questions

What is the IUPAC name of [4-(1-adamantyl)phenyl] N-(benzenesulfonyl)carbamate?
The IUPAC name of [4-(1-adamantyl)phenyl] N-(benzenesulfonyl)carbamate (CID 4043567) is [4-(1-adamantyl)phenyl] N-(benzenesulfonyl)carbamate.
What is the SMILES notation for [4-(1-adamantyl)phenyl] N-(benzenesulfonyl)carbamate?
The canonical SMILES for [4-(1-adamantyl)phenyl] N-(benzenesulfonyl)carbamate is O=C(NS(=O)(=O)c1ccccc1)Oc1ccc(C23CC4CC(CC(C4)C2)C3)cc1.
What is the InChIKey of [4-(1-adamantyl)phenyl] N-(benzenesulfonyl)carbamate?
The InChIKey is DPVZESXNFMTYAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25NO4S/c25-22(24-29(26,27)21-4-2-1-3-5-21)28-20-8-6-19(7-9-20)23-13-16-10-17(14-23)12-18(11-16)15-23/h1-9,16-18H,10-15H2,(H,24,25).
What are the key properties of [4-(1-adamantyl)phenyl] N-(benzenesulfonyl)carbamate?
[4-(1-adamantyl)phenyl] N-(benzenesulfonyl)carbamate has a molecular weight of 411.52 g/mol, XLogP of 4.63, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1-adamantyl)phenyl] N-(benzenesulfonyl)carbamate is sourced from PubChem (CID 4043567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).