sodium;N,N-dichloro-4-methylbenzenesulfonamide;hydride

C7H8Cl2NNaO2S — CID 173126628

IUPACsodium;N,N-dichloro-4-methylbenzenesulfonamide;hydride
SMILESCc1ccc(S(=O)(=O)N(Cl)Cl)cc1.[H-].[Na+]
InChIInChI=1S/C7H7Cl2NO2S.Na.H/c1-6-2-4-7(5-3-6)13(11,12)10(8)9;;/h2-5H,1H3;;/q;+1;-1
InChIKeyASTGLCZXMTZNIR-UHFFFAOYSA-N
MW264.11 g/mol
LogP-0.59
Rot. Bonds2

About sodium;N,N-dichloro-4-methylbenzenesulfonamide;hydride

sodium;N,N-dichloro-4-methylbenzenesulfonamide;hydride (PubChem CID 173126628) has the molecular formula C7H8Cl2NNaO2S and a molecular weight of 264.11 g/mol. Its IUPAC name is sodium;N,N-dichloro-4-methylbenzenesulfonamide;hydride.

Molecular Properties

Compound Namesodium;N,N-dichloro-4-methylbenzenesulfonamide;hydride
PubChem CID173126628
Molecular FormulaC7H8Cl2NNaO2S
Molecular Weight264.11 g/mol
Exact Mass262.96
IUPAC Namesodium;N,N-dichloro-4-methylbenzenesulfonamide;hydride
SMILESCc1ccc(S(=O)(=O)N(Cl)Cl)cc1.[H-].[Na+]
InChIInChI=1S/C7H7Cl2NO2S.Na.H/c1-6-2-4-7(5-3-6)13(11,12)10(8)9;;/h2-5H,1H3;;/q;+1;-1
InChIKeyASTGLCZXMTZNIR-UHFFFAOYSA-N
XLogP-0.59
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.11
LogP ≤ 5-0.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1,1,3,3-tetrakis-(4-methylphenyl)sulfonylurea
CID 91209973
N,4-dimethyl-N-(4-methylphenyl)benzenesulfonamide
CID 800890
4-methyl-N,N-bis(sulfanylmethyl)benzenesulfonamide
CID 122393288
1-methyl-4-[4-(4-methylphenyl)sulfonylphenyl]sulfonylbenzene
CID 14008088
1-methyl-4-[4-[4-(4-methylphenyl)sulfonylphenyl]sulfonylphenyl]sulfonylbenzene
CID 2252474
N-(2,6-dichlorophenyl)-4-methyl-N-(4-methylphenyl)sulfonylbenzenesulfonamide
CID 14611924
N,N-bis(3-chloropropyl)-4-methylbenzenesulfonamide
CID 11012755
disodium;4-methylbenzenesulfonate;chloride
CID 140666429
lithium;hydride;1,4-xylene
CID 173349078
4-chloro-N-hydroxy-N-(4-methylphenyl)benzenesulfonamide
CID 2313101
N-ethynyl-4-methyl-N-propan-2-ylbenzenesulfonamide
CID 11356829
N,4-dimethyl-N-[2-[2-[methyl-(4-methylphenyl)sulfonylamino]ethyl-(4-methylphenyl)sulfonylamino]ethyl]benzenesulfonamide
CID 11767132

Frequently Asked Questions

What is the IUPAC name of sodium;N,N-dichloro-4-methylbenzenesulfonamide;hydride?
The IUPAC name of sodium;N,N-dichloro-4-methylbenzenesulfonamide;hydride (CID 173126628) is sodium;N,N-dichloro-4-methylbenzenesulfonamide;hydride.
What is the SMILES notation for sodium;N,N-dichloro-4-methylbenzenesulfonamide;hydride?
The canonical SMILES for sodium;N,N-dichloro-4-methylbenzenesulfonamide;hydride is Cc1ccc(S(=O)(=O)N(Cl)Cl)cc1.[H-].[Na+].
What is the InChIKey of sodium;N,N-dichloro-4-methylbenzenesulfonamide;hydride?
The InChIKey is ASTGLCZXMTZNIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7Cl2NO2S.Na.H/c1-6-2-4-7(5-3-6)13(11,12)10(8)9;;/h2-5H,1H3;;/q;+1;-1.
What are the key properties of sodium;N,N-dichloro-4-methylbenzenesulfonamide;hydride?
sodium;N,N-dichloro-4-methylbenzenesulfonamide;hydride has a molecular weight of 264.11 g/mol, XLogP of -0.59, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;N,N-dichloro-4-methylbenzenesulfonamide;hydride is sourced from PubChem (CID 173126628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).