[4-[(3-acetylphenyl)carbamoylamino]phenyl] sulfamate

C15H15N3O5S — CID 70681985

IUPAC[4-[(3-acetylphenyl)carbamoylamino]phenyl] sulfamate
SMILESCC(=O)c1cccc(NC(=O)Nc2ccc(OS(N)(=O)=O)cc2)c1
InChIInChI=1S/C15H15N3O5S/c1-10(19)11-3-2-4-13(9-11)18-15(20)17-12-5-7-14(8-6-12)23-24(16,21)22/h2-9H,1H3,(H2,16,21,22)(H2,17,18,20)
InChIKeyNNILPWIOCNHOKU-UHFFFAOYSA-N
MW349.37 g/mol
LogP2.12
Rot. Bonds5

About [4-[(3-acetylphenyl)carbamoylamino]phenyl] sulfamate

[4-[(3-acetylphenyl)carbamoylamino]phenyl] sulfamate (PubChem CID 70681985) has the molecular formula C15H15N3O5S and a molecular weight of 349.37 g/mol. Its IUPAC name is [4-[(3-acetylphenyl)carbamoylamino]phenyl] sulfamate.

Molecular Properties

Compound Name[4-[(3-acetylphenyl)carbamoylamino]phenyl] sulfamate
PubChem CID70681985
Molecular FormulaC15H15N3O5S
Molecular Weight349.37 g/mol
Exact Mass349.07
IUPAC Name[4-[(3-acetylphenyl)carbamoylamino]phenyl] sulfamate
SMILESCC(=O)c1cccc(NC(=O)Nc2ccc(OS(N)(=O)=O)cc2)c1
InChIInChI=1S/C15H15N3O5S/c1-10(19)11-3-2-4-13(9-11)18-15(20)17-12-5-7-14(8-6-12)23-24(16,21)22/h2-9H,1H3,(H2,16,21,22)(H2,17,18,20)
InChIKeyNNILPWIOCNHOKU-UHFFFAOYSA-N
XLogP2.12
TPSA127.59 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.37
LogP ≤ 52.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-[(3-acetylphenyl)carbamoylamino]phenyl] sulfamate?
The IUPAC name of [4-[(3-acetylphenyl)carbamoylamino]phenyl] sulfamate (CID 70681985) is [4-[(3-acetylphenyl)carbamoylamino]phenyl] sulfamate.
What is the SMILES notation for [4-[(3-acetylphenyl)carbamoylamino]phenyl] sulfamate?
The canonical SMILES for [4-[(3-acetylphenyl)carbamoylamino]phenyl] sulfamate is CC(=O)c1cccc(NC(=O)Nc2ccc(OS(N)(=O)=O)cc2)c1.
What is the InChIKey of [4-[(3-acetylphenyl)carbamoylamino]phenyl] sulfamate?
The InChIKey is NNILPWIOCNHOKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O5S/c1-10(19)11-3-2-4-13(9-11)18-15(20)17-12-5-7-14(8-6-12)23-24(16,21)22/h2-9H,1H3,(H2,16,21,22)(H2,17,18,20).
What are the key properties of [4-[(3-acetylphenyl)carbamoylamino]phenyl] sulfamate?
[4-[(3-acetylphenyl)carbamoylamino]phenyl] sulfamate has a molecular weight of 349.37 g/mol, XLogP of 2.12, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(3-acetylphenyl)carbamoylamino]phenyl] sulfamate is sourced from PubChem (CID 70681985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).