sodium N-chloro-2-methylbenzenesulfonamide

C7H8ClNNaO2S+ — CID 23619818

IUPACsodium N-chloro-2-methylbenzenesulfonamide
SMILESCc1ccccc1S(=O)(=O)NCl.[Na+]
InChIInChI=1S/C7H8ClNO2S.Na/c1-6-4-2-3-5-7(6)12(10,11)9-8;/h2-5,9H,1H3;/q;+1
InChIKeyIAQJRWLCHNBZGQ-UHFFFAOYSA-N
MW228.66 g/mol
LogP-1.57
Rot. Bonds2

About sodium N-chloro-2-methylbenzenesulfonamide

sodium N-chloro-2-methylbenzenesulfonamide (PubChem CID 23619818) has the molecular formula C7H8ClNNaO2S+ and a molecular weight of 228.66 g/mol. Its IUPAC name is sodium N-chloro-2-methylbenzenesulfonamide.

Molecular Properties

Compound Namesodium N-chloro-2-methylbenzenesulfonamide
PubChem CID23619818
Molecular FormulaC7H8ClNNaO2S+
Molecular Weight228.66 g/mol
Exact Mass227.99
IUPAC Namesodium N-chloro-2-methylbenzenesulfonamide
SMILESCc1ccccc1S(=O)(=O)NCl.[Na+]
InChIInChI=1S/C7H8ClNO2S.Na/c1-6-4-2-3-5-7(6)12(10,11)9-8;/h2-5,9H,1H3;/q;+1
InChIKeyIAQJRWLCHNBZGQ-UHFFFAOYSA-N
XLogP-1.57
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.66
LogP ≤ 5-1.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

sodium;N-chloro-2-methylbenzenesulfonamide;hydride
CID 173064150
2-methyl-N-[[(2-methylphenyl)sulfonylamino]disulfanyl]benzenesulfonamide
CID 88610008
2-methyl-N-phenylbenzenesulfonamide
CID 3017048
(2-methylphenyl)sulfonylurea
CID 20975378
2-methyl-N-[(1R)-2,2,2-trichloro-1-hydroxyethyl]benzenesulfonamide
CID 125486356
4-chloro-N-(2-methylphenyl)sulfonylbenzamide
CID 139079289
2-methyl-N-[4-methyl-3-[(2-methylphenyl)sulfonylamino]phenyl]benzenesulfonamide
CID 990525
N-[2-(methanesulfonamido)phenyl]-2-methylbenzenesulfonamide
CID 113093452
N-[1-bromo-2-(bromomethyl)butan-2-yl]-2-methylbenzenesulfonamide
CID 107868257
N-(6-chlorohexyl)-2-methylbenzenesulfonamide
CID 107849171
2-methylbenzenesulfonamide
CID 6924
2-methylbenzenesulfonic acid
CID 6925

Frequently Asked Questions

What is the IUPAC name of sodium N-chloro-2-methylbenzenesulfonamide?
The IUPAC name of sodium N-chloro-2-methylbenzenesulfonamide (CID 23619818) is sodium N-chloro-2-methylbenzenesulfonamide.
What is the SMILES notation for sodium N-chloro-2-methylbenzenesulfonamide?
The canonical SMILES for sodium N-chloro-2-methylbenzenesulfonamide is Cc1ccccc1S(=O)(=O)NCl.[Na+].
What is the InChIKey of sodium N-chloro-2-methylbenzenesulfonamide?
The InChIKey is IAQJRWLCHNBZGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8ClNO2S.Na/c1-6-4-2-3-5-7(6)12(10,11)9-8;/h2-5,9H,1H3;/q;+1.
What are the key properties of sodium N-chloro-2-methylbenzenesulfonamide?
sodium N-chloro-2-methylbenzenesulfonamide has a molecular weight of 228.66 g/mol, XLogP of -1.57, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for sodium N-chloro-2-methylbenzenesulfonamide is sourced from PubChem (CID 23619818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).