sodium N-(4-chlorobenzoyl)sulfamate

C7H5ClNNaO4S — CID 23702299

IUPACsodium N-(4-chlorobenzoyl)sulfamate
SMILESO=C(NS(=O)(=O)[O-])c1ccc(Cl)cc1.[Na+]
InChIInChI=1S/C7H6ClNO4S.Na/c8-6-3-1-5(2-4-6)7(10)9-14(11,12)13;/h1-4H,(H,9,10)(H,11,12,13);/q;+1/p-1
InChIKeyCGUQMIVUNIMFTO-UHFFFAOYSA-M
MW257.63 g/mol
LogP-2.47
Rot. Bonds2

About sodium N-(4-chlorobenzoyl)sulfamate

sodium N-(4-chlorobenzoyl)sulfamate (PubChem CID 23702299) has the molecular formula C7H5ClNNaO4S and a molecular weight of 257.63 g/mol. Its IUPAC name is sodium N-(4-chlorobenzoyl)sulfamate.

Molecular Properties

Compound Namesodium N-(4-chlorobenzoyl)sulfamate
PubChem CID23702299
Molecular FormulaC7H5ClNNaO4S
Molecular Weight257.63 g/mol
Exact Mass256.95
IUPAC Namesodium N-(4-chlorobenzoyl)sulfamate
SMILESO=C(NS(=O)(=O)[O-])c1ccc(Cl)cc1.[Na+]
InChIInChI=1S/C7H6ClNO4S.Na/c8-6-3-1-5(2-4-6)7(10)9-14(11,12)13;/h1-4H,(H,9,10)(H,11,12,13);/q;+1/p-1
InChIKeyCGUQMIVUNIMFTO-UHFFFAOYSA-M
XLogP-2.47
TPSA86.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.63
LogP ≤ 5-2.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-N-[(4-chlorophenyl)sulfonimidoyl]benzamide
CID 155806628
4-chloro-N-hydroxybenzamide
CID 587178
N-(benzenesulfonyl)-4-chlorobenzamide
CID 2355220
N-(4-chlorophenyl)sulfonyl-4-(4-methylphenyl)benzamide
CID 56655954
4-[(4-chlorophenyl)sulfonylcarbamoyl]benzenesulfinate
CID 23213583
4-chloro-N-(2-methylphenyl)sulfonylbenzamide
CID 139079289
4-chloro-N-(3-cyanopropylsulfonyl)benzamide
CID 75444980
N-acetyl-4-chlorobenzamide
CID 11735747
N'-(4-chlorophenyl)sulfonyl-4-methylbenzohydrazide
CID 932051
(E)-3-(4-chlorophenyl)-N-methylsulfonylprop-2-enamide
CID 47232697
N'-[(4-chlorobenzoyl)amino]-4-(3,5-dimethylpiperidin-1-yl)sulfonylbenzohydrazide
CID 153352350
(4-chlorophenyl)-oxomethanesulfonic acid
CID 175508257

Frequently Asked Questions

What is the IUPAC name of sodium N-(4-chlorobenzoyl)sulfamate?
The IUPAC name of sodium N-(4-chlorobenzoyl)sulfamate (CID 23702299) is sodium N-(4-chlorobenzoyl)sulfamate.
What is the SMILES notation for sodium N-(4-chlorobenzoyl)sulfamate?
The canonical SMILES for sodium N-(4-chlorobenzoyl)sulfamate is O=C(NS(=O)(=O)[O-])c1ccc(Cl)cc1.[Na+].
What is the InChIKey of sodium N-(4-chlorobenzoyl)sulfamate?
The InChIKey is CGUQMIVUNIMFTO-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H6ClNO4S.Na/c8-6-3-1-5(2-4-6)7(10)9-14(11,12)13;/h1-4H,(H,9,10)(H,11,12,13);/q;+1/p-1.
What are the key properties of sodium N-(4-chlorobenzoyl)sulfamate?
sodium N-(4-chlorobenzoyl)sulfamate has a molecular weight of 257.63 g/mol, XLogP of -2.47, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for sodium N-(4-chlorobenzoyl)sulfamate is sourced from PubChem (CID 23702299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).