(3-carbamoyloxy-2-fluorophenyl)sulfamic acid

C7H7FN2O5S — CID 174728578

IUPAC(3-carbamoyloxy-2-fluorophenyl)sulfamic acid
SMILESNC(=O)Oc1cccc(NS(=O)(=O)O)c1F
InChIInChI=1S/C7H7FN2O5S/c8-6-4(10-16(12,13)14)2-1-3-5(6)15-7(9)11/h1-3,10H,(H2,9,11)(H,12,13,14)
InChIKeyMPNYDDBIEGJKOT-UHFFFAOYSA-N
MW250.21 g/mol
LogP0.50
Rot. Bonds3

About (3-carbamoyloxy-2-fluorophenyl)sulfamic acid

(3-carbamoyloxy-2-fluorophenyl)sulfamic acid (PubChem CID 174728578) has the molecular formula C7H7FN2O5S and a molecular weight of 250.21 g/mol. Its IUPAC name is (3-carbamoyloxy-2-fluorophenyl)sulfamic acid.

Molecular Properties

Compound Name(3-carbamoyloxy-2-fluorophenyl)sulfamic acid
PubChem CID174728578
Molecular FormulaC7H7FN2O5S
Molecular Weight250.21 g/mol
Exact Mass250.01
IUPAC Name(3-carbamoyloxy-2-fluorophenyl)sulfamic acid
SMILESNC(=O)Oc1cccc(NS(=O)(=O)O)c1F
InChIInChI=1S/C7H7FN2O5S/c8-6-4(10-16(12,13)14)2-1-3-5(6)15-7(9)11/h1-3,10H,(H2,9,11)(H,12,13,14)
InChIKeyMPNYDDBIEGJKOT-UHFFFAOYSA-N
XLogP0.50
TPSA118.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.21
LogP ≤ 50.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

Analyze (3-carbamoyloxy-2-fluorophenyl)sulfamic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[3-[(2,5-difluorophenyl)sulfonylamino]-2-fluorophenyl] carbamate
CID 174629530
(2,3-difluorophenyl) carbamate
CID 154511519
(3-amino-2-chlorophenyl)sulfamic acid
CID 57275519
benzonitrile;[3-(2-ethylhydrazinyl)-2-fluorophenyl] carbamate
CID 174632385
[3-(2-bromoethyl)-2-fluorophenyl] carbamate
CID 174593765
(2-formyl-3-hydroxyphenyl) carbamate
CID 175040502
(2-fluoro-3-methoxyphenyl)carbamic acid
CID 66876605
(3-amino-2-tert-butylphenyl) carbamate
CID 67424398
(2-amino-4-chloro-3-fluorophenyl) carbamate
CID 150880588
(2-hydroxy-3-methoxyphenyl) carbamate
CID 68617707
N-(2-fluoro-3-hydroxyphenyl)-2-methoxybenzenesulfonamide
CID 138995627
(3-amino-5-chloro-2-fluorophenyl) carbamate
CID 174670432

Frequently Asked Questions

What is the IUPAC name of (3-carbamoyloxy-2-fluorophenyl)sulfamic acid?
The IUPAC name of (3-carbamoyloxy-2-fluorophenyl)sulfamic acid (CID 174728578) is (3-carbamoyloxy-2-fluorophenyl)sulfamic acid.
What is the SMILES notation for (3-carbamoyloxy-2-fluorophenyl)sulfamic acid?
The canonical SMILES for (3-carbamoyloxy-2-fluorophenyl)sulfamic acid is NC(=O)Oc1cccc(NS(=O)(=O)O)c1F.
What is the InChIKey of (3-carbamoyloxy-2-fluorophenyl)sulfamic acid?
The InChIKey is MPNYDDBIEGJKOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7FN2O5S/c8-6-4(10-16(12,13)14)2-1-3-5(6)15-7(9)11/h1-3,10H,(H2,9,11)(H,12,13,14).
What are the key properties of (3-carbamoyloxy-2-fluorophenyl)sulfamic acid?
(3-carbamoyloxy-2-fluorophenyl)sulfamic acid has a molecular weight of 250.21 g/mol, XLogP of 0.50, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-carbamoyloxy-2-fluorophenyl)sulfamic acid is sourced from PubChem (CID 174728578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).