sodium N-(4-chloro-2-fluorophenyl)sulfamate

C6H4ClFNNaO3S — CID 23674123

IUPACsodium N-(4-chloro-2-fluorophenyl)sulfamate
SMILESO=S(=O)([O-])Nc1ccc(Cl)cc1F.[Na+]
InChIInChI=1S/C6H5ClFNO3S.Na/c7-4-1-2-6(5(8)3-4)9-13(10,11)12;/h1-3,9H,(H,10,11,12);/q;+1/p-1
InChIKeyXWRVCFAVPFQOCQ-UHFFFAOYSA-M
MW247.61 g/mol
LogP-1.64
Rot. Bonds2

About sodium N-(4-chloro-2-fluorophenyl)sulfamate

sodium N-(4-chloro-2-fluorophenyl)sulfamate (PubChem CID 23674123) has the molecular formula C6H4ClFNNaO3S and a molecular weight of 247.61 g/mol. Its IUPAC name is sodium N-(4-chloro-2-fluorophenyl)sulfamate.

Molecular Properties

Compound Namesodium N-(4-chloro-2-fluorophenyl)sulfamate
PubChem CID23674123
Molecular FormulaC6H4ClFNNaO3S
Molecular Weight247.61 g/mol
Exact Mass246.95
IUPAC Namesodium N-(4-chloro-2-fluorophenyl)sulfamate
SMILESO=S(=O)([O-])Nc1ccc(Cl)cc1F.[Na+]
InChIInChI=1S/C6H5ClFNO3S.Na/c7-4-1-2-6(5(8)3-4)9-13(10,11)12;/h1-3,9H,(H,10,11,12);/q;+1/p-1
InChIKeyXWRVCFAVPFQOCQ-UHFFFAOYSA-M
XLogP-1.64
TPSA69.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.61
LogP ≤ 5-1.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze sodium N-(4-chloro-2-fluorophenyl)sulfamate 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

sodium N-(2-fluoro-4-iodophenyl)sulfamate
CID 23674125
N-(4-chloro-2-fluorophenyl)propane-1-sulfonamide
CID 60640735
2-amino-N-(4-chloro-2-fluorophenyl)ethanesulfonamide
CID 61472414
N-(4-chloro-2-fluorophenyl)-4-fluoro-3-(trifluoromethyl)benzenesulfonamide
CID 60585547
4-[(4-chloro-2-fluorophenyl)sulfamoyl]benzoic acid
CID 8501109
4-chloro-N-(2,4-difluorophenyl)-2-fluorobenzenesulfonamide
CID 4968602
4-amino-N-(4-chloro-2-fluorophenyl)-2,6-dimethylbenzenesulfonamide
CID 79569031
N-(4-chloro-2-fluorophenyl)-2-hydrazinylbenzenesulfonamide
CID 61470421
N-(4-chloro-2-fluorophenyl)nitramide
CID 57292925
3-bromo-N-(4-chloro-2-fluorophenyl)-4-methoxybenzenesulfonamide
CID 4847840
2,5-dichloro-N-(2,4-difluorophenyl)benzenesulfonamide
CID 3702583
3-amino-5-chloro-N-(4-chloro-2-fluorophenyl)-4-methylbenzenesulfonamide
CID 61107975

Frequently Asked Questions

What is the IUPAC name of sodium N-(4-chloro-2-fluorophenyl)sulfamate?
The IUPAC name of sodium N-(4-chloro-2-fluorophenyl)sulfamate (CID 23674123) is sodium N-(4-chloro-2-fluorophenyl)sulfamate.
What is the SMILES notation for sodium N-(4-chloro-2-fluorophenyl)sulfamate?
The canonical SMILES for sodium N-(4-chloro-2-fluorophenyl)sulfamate is O=S(=O)([O-])Nc1ccc(Cl)cc1F.[Na+].
What is the InChIKey of sodium N-(4-chloro-2-fluorophenyl)sulfamate?
The InChIKey is XWRVCFAVPFQOCQ-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H5ClFNO3S.Na/c7-4-1-2-6(5(8)3-4)9-13(10,11)12;/h1-3,9H,(H,10,11,12);/q;+1/p-1.
What are the key properties of sodium N-(4-chloro-2-fluorophenyl)sulfamate?
sodium N-(4-chloro-2-fluorophenyl)sulfamate has a molecular weight of 247.61 g/mol, XLogP of -1.64, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sodium N-(4-chloro-2-fluorophenyl)sulfamate is sourced from PubChem (CID 23674123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).