[4-(2,3-dihydro-1-benzofuran-5-ylcarbamoylamino)phenyl] sulfamate

C15H15N3O5S — CID 70694605

IUPAC[4-(2,3-dihydro-1-benzofuran-5-ylcarbamoylamino)phenyl] sulfamate
SMILESNS(=O)(=O)Oc1ccc(NC(=O)Nc2ccc3c(c2)CCO3)cc1
InChIInChI=1S/C15H15N3O5S/c16-24(20,21)23-13-4-1-11(2-5-13)17-15(19)18-12-3-6-14-10(9-12)7-8-22-14/h1-6,9H,7-8H2,(H2,16,20,21)(H2,17,18,19)
InChIKeyLEHVPTZHETYTTO-UHFFFAOYSA-N
MW349.37 g/mol
LogP1.85
Rot. Bonds4

About [4-(2,3-dihydro-1-benzofuran-5-ylcarbamoylamino)phenyl] sulfamate

[4-(2,3-dihydro-1-benzofuran-5-ylcarbamoylamino)phenyl] sulfamate (PubChem CID 70694605) has the molecular formula C15H15N3O5S and a molecular weight of 349.37 g/mol. Its IUPAC name is [4-(2,3-dihydro-1-benzofuran-5-ylcarbamoylamino)phenyl] sulfamate.

Molecular Properties

Compound Name[4-(2,3-dihydro-1-benzofuran-5-ylcarbamoylamino)phenyl] sulfamate
PubChem CID70694605
Molecular FormulaC15H15N3O5S
Molecular Weight349.37 g/mol
Exact Mass349.07
IUPAC Name[4-(2,3-dihydro-1-benzofuran-5-ylcarbamoylamino)phenyl] sulfamate
SMILESNS(=O)(=O)Oc1ccc(NC(=O)Nc2ccc3c(c2)CCO3)cc1
InChIInChI=1S/C15H15N3O5S/c16-24(20,21)23-13-4-1-11(2-5-13)17-15(19)18-12-3-6-14-10(9-12)7-8-22-14/h1-6,9H,7-8H2,(H2,16,20,21)(H2,17,18,19)
InChIKeyLEHVPTZHETYTTO-UHFFFAOYSA-N
XLogP1.85
TPSA119.75 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.37
LogP ≤ 51.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2,3-dihydro-1-benzofuran-5-yl)-3-(4-methoxyphenyl)urea
CID 25352937
2,3-dihydro-1-benzofuran-5-yl sulfamate
CID 154276284
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(2,3-dihydro-1-benzofuran-5-yl)urea
CID 110866610
1-(2,3-dihydro-1-benzofuran-5-yl)-3-(3,4-dimethoxyphenyl)urea
CID 110866492
1-(3-bromophenyl)-3-(2,3-dihydro-1-benzofuran-5-yl)urea
CID 110866595
N-(2,3-dihydro-1-benzofuran-5-yl)-5-sulfamoylfuran-2-carboxamide
CID 112522621
1-(2,3-dihydro-1-benzofuran-5-yl)-3-(2-fluorophenyl)urea
CID 110866388
2-chloro-N-(2,3-dihydro-1-benzofuran-5-yl)acetamide
CID 43701447
N-(2,3-dihydro-1-benzofuran-5-yl)-4-ethoxybenzamide
CID 38558658
5-bromo-N-(2,3-dihydro-1-benzofuran-5-yl)-2-hydroxybenzamide
CID 38558716
2-bromo-N-(2,3-dihydro-1-benzofuran-5-yl)propanamide
CID 107903969
(2S,3S)-2-amino-N-(2,3-dihydro-1-benzofuran-5-yl)-3-methylpentanamide
CID 61177905

Frequently Asked Questions

What is the IUPAC name of [4-(2,3-dihydro-1-benzofuran-5-ylcarbamoylamino)phenyl] sulfamate?
The IUPAC name of [4-(2,3-dihydro-1-benzofuran-5-ylcarbamoylamino)phenyl] sulfamate (CID 70694605) is [4-(2,3-dihydro-1-benzofuran-5-ylcarbamoylamino)phenyl] sulfamate.
What is the SMILES notation for [4-(2,3-dihydro-1-benzofuran-5-ylcarbamoylamino)phenyl] sulfamate?
The canonical SMILES for [4-(2,3-dihydro-1-benzofuran-5-ylcarbamoylamino)phenyl] sulfamate is NS(=O)(=O)Oc1ccc(NC(=O)Nc2ccc3c(c2)CCO3)cc1.
What is the InChIKey of [4-(2,3-dihydro-1-benzofuran-5-ylcarbamoylamino)phenyl] sulfamate?
The InChIKey is LEHVPTZHETYTTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O5S/c16-24(20,21)23-13-4-1-11(2-5-13)17-15(19)18-12-3-6-14-10(9-12)7-8-22-14/h1-6,9H,7-8H2,(H2,16,20,21)(H2,17,18,19).
What are the key properties of [4-(2,3-dihydro-1-benzofuran-5-ylcarbamoylamino)phenyl] sulfamate?
[4-(2,3-dihydro-1-benzofuran-5-ylcarbamoylamino)phenyl] sulfamate has a molecular weight of 349.37 g/mol, XLogP of 1.85, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,3-dihydro-1-benzofuran-5-ylcarbamoylamino)phenyl] sulfamate is sourced from PubChem (CID 70694605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).