sodium N-(4-chloroanilino)sulfamate

C6H6ClN2NaO3S — CID 102269786

IUPACsodium N-(4-chloroanilino)sulfamate
SMILESO=S(=O)([O-])NNc1ccc(Cl)cc1.[Na+]
InChIInChI=1S/C6H7ClN2O3S.Na/c7-5-1-3-6(4-2-5)8-9-13(10,11)12;/h1-4,8-9H,(H,10,11,12);/q;+1/p-1
InChIKeyFODZPIRVFWUKPB-UHFFFAOYSA-M
MW244.64 g/mol
LogP-2.28
Rot. Bonds3

About sodium N-(4-chloroanilino)sulfamate

sodium N-(4-chloroanilino)sulfamate (PubChem CID 102269786) has the molecular formula C6H6ClN2NaO3S and a molecular weight of 244.64 g/mol. Its IUPAC name is sodium N-(4-chloroanilino)sulfamate.

Molecular Properties

Compound Namesodium N-(4-chloroanilino)sulfamate
PubChem CID102269786
Molecular FormulaC6H6ClN2NaO3S
Molecular Weight244.64 g/mol
Exact Mass243.97
IUPAC Namesodium N-(4-chloroanilino)sulfamate
SMILESO=S(=O)([O-])NNc1ccc(Cl)cc1.[Na+]
InChIInChI=1S/C6H7ClN2O3S.Na/c7-5-1-3-6(4-2-5)8-9-13(10,11)12;/h1-4,8-9H,(H,10,11,12);/q;+1/p-1
InChIKeyFODZPIRVFWUKPB-UHFFFAOYSA-M
XLogP-2.28
TPSA81.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.64
LogP ≤ 5-2.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

sodium (4-chloroanilino)methanesulfonate
CID 23681854
sodium N-(4-chlorobenzoyl)sulfamate
CID 23702299
bis(4-chlorobenzenesulfonate);mercury(2+)
CID 22604664
sodium (4-chlorophenyl)methanesulfonate
CID 23691083
N-(4-chlorophenyl)-4-(ethylsulfonylamino)benzenesulfonamide
CID 22202641
potassium (4-chlorophenyl)-oxido-oxo-sulfanylidene-λ6-sulfane
CID 42618709
[4-(4-chlorophenyl)sulfonylphenyl]carbamic acid
CID 18450250
sodium 1-(4-chloroanilino)ethanesulfonic acid
CID 54604428
4-[(4-chlorophenyl)sulfonylamino]-N-(4-methylphenyl)benzenesulfonamide
CID 3719852
sodium N-(4-chloro-2-fluorophenyl)sulfamate
CID 23674123
1,4-dichlorobenzene;sulfurochloridic acid
CID 19857624
4-chloro-N-(3,4-difluorophenyl)benzenesulfonamide
CID 5241140

Frequently Asked Questions

What is the IUPAC name of sodium N-(4-chloroanilino)sulfamate?
The IUPAC name of sodium N-(4-chloroanilino)sulfamate (CID 102269786) is sodium N-(4-chloroanilino)sulfamate.
What is the SMILES notation for sodium N-(4-chloroanilino)sulfamate?
The canonical SMILES for sodium N-(4-chloroanilino)sulfamate is O=S(=O)([O-])NNc1ccc(Cl)cc1.[Na+].
What is the InChIKey of sodium N-(4-chloroanilino)sulfamate?
The InChIKey is FODZPIRVFWUKPB-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H7ClN2O3S.Na/c7-5-1-3-6(4-2-5)8-9-13(10,11)12;/h1-4,8-9H,(H,10,11,12);/q;+1/p-1.
What are the key properties of sodium N-(4-chloroanilino)sulfamate?
sodium N-(4-chloroanilino)sulfamate has a molecular weight of 244.64 g/mol, XLogP of -2.28, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for sodium N-(4-chloroanilino)sulfamate is sourced from PubChem (CID 102269786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).