[4-(1-adamantylcarbamoylamino)phenyl] sulfamate

C17H23N3O4S — CID 70688360

IUPAC[4-(1-adamantylcarbamoylamino)phenyl] sulfamate
SMILESNS(=O)(=O)Oc1ccc(NC(=O)NC23CC4CC(CC(C4)C2)C3)cc1
InChIInChI=1S/C17H23N3O4S/c18-25(22,23)24-15-3-1-14(2-4-15)19-16(21)20-17-8-11-5-12(9-17)7-13(6-11)10-17/h1-4,11-13H,5-10H2,(H2,18,22,23)(H2,19,20,21)
InChIKeyUJZSCIYBFDLVFG-UHFFFAOYSA-N
MW365.46 g/mol
LogP2.36
Rot. Bonds4

About [4-(1-adamantylcarbamoylamino)phenyl] sulfamate

[4-(1-adamantylcarbamoylamino)phenyl] sulfamate (PubChem CID 70688360) has the molecular formula C17H23N3O4S and a molecular weight of 365.46 g/mol. Its IUPAC name is [4-(1-adamantylcarbamoylamino)phenyl] sulfamate.

Molecular Properties

Compound Name[4-(1-adamantylcarbamoylamino)phenyl] sulfamate
PubChem CID70688360
Molecular FormulaC17H23N3O4S
Molecular Weight365.46 g/mol
Exact Mass365.14
IUPAC Name[4-(1-adamantylcarbamoylamino)phenyl] sulfamate
SMILESNS(=O)(=O)Oc1ccc(NC(=O)NC23CC4CC(CC(C4)C2)C3)cc1
InChIInChI=1S/C17H23N3O4S/c18-25(22,23)24-15-3-1-14(2-4-15)19-16(21)20-17-8-11-5-12(9-17)7-13(6-11)10-17/h1-4,11-13H,5-10H2,(H2,18,22,23)(H2,19,20,21)
InChIKeyUJZSCIYBFDLVFG-UHFFFAOYSA-N
XLogP2.36
TPSA110.52 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.46
LogP ≤ 52.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-Ureidophenyl sulfamate ring derivative 3p
CID 53342705
[4-(2-Phenylethylcarbamoylamino)phenyl] sulfamate
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[4-[(2-Phenylphenyl)carbamoylamino]phenyl] sulfamate
CID 70688361
[4-[(2-Propan-2-ylphenyl)carbamoylamino]phenyl] sulfamate
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1-Adamantan-1-yl-3-(2-hydroxy-phenyl)-urea
CID 22932333
1-Adamantan-1-yl-3-(3-hydroxy-phenyl)-urea
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1-Adamantan-1-yl-3-(4-hydroxy-phenyl)-urea
CID 28787671
[4-[(4-Benzylphenyl)carbamoylamino]phenyl] sulfamate
CID 70681984
[4-(Benzhydrylcarbamoylamino)phenyl] sulfamate
CID 70681987
[4-[(4-Propan-2-ylphenyl)carbamoylamino]phenyl] sulfamate
CID 70684103
[4-[(4-Phenylphenyl)carbamoylamino]phenyl] sulfamate
CID 70696640
1-(1-Adamantyl)-3-(4-methoxyphenyl)urea
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Frequently Asked Questions

What is the IUPAC name of [4-(1-adamantylcarbamoylamino)phenyl] sulfamate?
The IUPAC name of [4-(1-adamantylcarbamoylamino)phenyl] sulfamate (CID 70688360) is [4-(1-adamantylcarbamoylamino)phenyl] sulfamate.
What is the SMILES notation for [4-(1-adamantylcarbamoylamino)phenyl] sulfamate?
The canonical SMILES for [4-(1-adamantylcarbamoylamino)phenyl] sulfamate is NS(=O)(=O)Oc1ccc(NC(=O)NC23CC4CC(CC(C4)C2)C3)cc1.
What is the InChIKey of [4-(1-adamantylcarbamoylamino)phenyl] sulfamate?
The InChIKey is UJZSCIYBFDLVFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O4S/c18-25(22,23)24-15-3-1-14(2-4-15)19-16(21)20-17-8-11-5-12(9-17)7-13(6-11)10-17/h1-4,11-13H,5-10H2,(H2,18,22,23)(H2,19,20,21).
What are the key properties of [4-(1-adamantylcarbamoylamino)phenyl] sulfamate?
[4-(1-adamantylcarbamoylamino)phenyl] sulfamate has a molecular weight of 365.46 g/mol, XLogP of 2.36, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1-adamantylcarbamoylamino)phenyl] sulfamate is sourced from PubChem (CID 70688360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).