2-methyl-N-[[(2-methylphenyl)sulfonylamino]disulfanyl]benzenesulfonamide

C14H16N2O4S4 — CID 88610008

IUPAC2-methyl-N-[[(2-methylphenyl)sulfonylamino]disulfanyl]benzenesulfonamide
SMILESCc1ccccc1S(=O)(=O)NSSNS(=O)(=O)c1ccccc1C
InChIInChI=1S/C14H16N2O4S4/c1-11-7-3-5-9-13(11)23(17,18)15-21-22-16-24(19,20)14-10-6-4-8-12(14)2/h3-10,15-16H,1-2H3
InChIKeyIJCPKGUYYPWOKC-UHFFFAOYSA-N
MW404.56 g/mol
LogP2.77
Rot. Bonds7

About 2-methyl-N-[[(2-methylphenyl)sulfonylamino]disulfanyl]benzenesulfonamide

2-methyl-N-[[(2-methylphenyl)sulfonylamino]disulfanyl]benzenesulfonamide (PubChem CID 88610008) has the molecular formula C14H16N2O4S4 and a molecular weight of 404.56 g/mol. Its IUPAC name is 2-methyl-N-[[(2-methylphenyl)sulfonylamino]disulfanyl]benzenesulfonamide.

Molecular Properties

Compound Name2-methyl-N-[[(2-methylphenyl)sulfonylamino]disulfanyl]benzenesulfonamide
PubChem CID88610008
Molecular FormulaC14H16N2O4S4
Molecular Weight404.56 g/mol
Exact Mass404.00
IUPAC Name2-methyl-N-[[(2-methylphenyl)sulfonylamino]disulfanyl]benzenesulfonamide
SMILESCc1ccccc1S(=O)(=O)NSSNS(=O)(=O)c1ccccc1C
InChIInChI=1S/C14H16N2O4S4/c1-11-7-3-5-9-13(11)23(17,18)15-21-22-16-24(19,20)14-10-6-4-8-12(14)2/h3-10,15-16H,1-2H3
InChIKeyIJCPKGUYYPWOKC-UHFFFAOYSA-N
XLogP2.77
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.56
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'disulphide', 'substructure': 'N/A'}, {'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

sodium N-chloro-2-methylbenzenesulfonamide
CID 23619818
sodium;N-chloro-2-methylbenzenesulfonamide;hydride
CID 173064150
2-methyl-N-phenylbenzenesulfonamide
CID 3017048
(2-methylphenyl)sulfonylurea
CID 20975378
N-[2-(methanesulfonamido)phenyl]-2-methylbenzenesulfonamide
CID 113093452
N'-butylsulfonyl-2-methylbenzenesulfonohydrazide
CID 67845686
2-methylbenzenesulfonamide
CID 6924
2-methylbenzenesulfonic acid
CID 6925
N-cyclopent-3-en-1-yl-2-methylbenzenesulfonamide
CID 115695655
cyclobutane;(2-methylphenyl)sulfonylurea
CID 20975377
N-(2-ethylsulfonylethyl)-2-methylbenzenesulfonamide
CID 103721105
2-methyl-N-[(1R)-2,2,2-trichloro-1-hydroxyethyl]benzenesulfonamide
CID 125486356

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[(2-methylphenyl)sulfonylamino]disulfanyl]benzenesulfonamide?
The IUPAC name of 2-methyl-N-[[(2-methylphenyl)sulfonylamino]disulfanyl]benzenesulfonamide (CID 88610008) is 2-methyl-N-[[(2-methylphenyl)sulfonylamino]disulfanyl]benzenesulfonamide.
What is the SMILES notation for 2-methyl-N-[[(2-methylphenyl)sulfonylamino]disulfanyl]benzenesulfonamide?
The canonical SMILES for 2-methyl-N-[[(2-methylphenyl)sulfonylamino]disulfanyl]benzenesulfonamide is Cc1ccccc1S(=O)(=O)NSSNS(=O)(=O)c1ccccc1C.
What is the InChIKey of 2-methyl-N-[[(2-methylphenyl)sulfonylamino]disulfanyl]benzenesulfonamide?
The InChIKey is IJCPKGUYYPWOKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O4S4/c1-11-7-3-5-9-13(11)23(17,18)15-21-22-16-24(19,20)14-10-6-4-8-12(14)2/h3-10,15-16H,1-2H3.
What are the key properties of 2-methyl-N-[[(2-methylphenyl)sulfonylamino]disulfanyl]benzenesulfonamide?
2-methyl-N-[[(2-methylphenyl)sulfonylamino]disulfanyl]benzenesulfonamide has a molecular weight of 404.56 g/mol, XLogP of 2.77, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[(2-methylphenyl)sulfonylamino]disulfanyl]benzenesulfonamide is sourced from PubChem (CID 88610008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).