[2-(methanesulfonamido)phenyl]methanesulfonamide

C8H12N2O4S2 — CID 170547357

IUPAC[2-(methanesulfonamido)phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1ccccc1CS(N)(=O)=O
InChIInChI=1S/C8H12N2O4S2/c1-15(11,12)10-8-5-3-2-4-7(8)6-16(9,13)14/h2-5,10H,6H2,1H3,(H2,9,13,14)
InChIKeyCNPVTGYOXQVAMO-UHFFFAOYSA-N
MW264.33 g/mol
LogP-0.15
Rot. Bonds4

About [2-(methanesulfonamido)phenyl]methanesulfonamide

[2-(methanesulfonamido)phenyl]methanesulfonamide (PubChem CID 170547357) has the molecular formula C8H12N2O4S2 and a molecular weight of 264.33 g/mol. Its IUPAC name is [2-(methanesulfonamido)phenyl]methanesulfonamide.

Molecular Properties

Compound Name[2-(methanesulfonamido)phenyl]methanesulfonamide
PubChem CID170547357
Molecular FormulaC8H12N2O4S2
Molecular Weight264.33 g/mol
Exact Mass264.02
IUPAC Name[2-(methanesulfonamido)phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1ccccc1CS(N)(=O)=O
InChIInChI=1S/C8H12N2O4S2/c1-15(11,12)10-8-5-3-2-4-7(8)6-16(9,13)14/h2-5,10H,6H2,1H3,(H2,9,13,14)
InChIKeyCNPVTGYOXQVAMO-UHFFFAOYSA-N
XLogP-0.15
TPSA106.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 5-0.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

p-Toluenesulfono-o-toluidide
CID 66457
N,1-diphenylmethanesulfonamide
CID 669287
N-(4-Methylphenyl)methanesulfonamide
CID 835475
N-(2-ethylphenyl)-1-phenylmethanesulfonamide
CID 669288
N-(3-fluorophenyl)-1-phenylmethanesulfonamide
CID 872253
4-fluoro-N-(2-methylphenyl)benzenesulfonamide
CID 668798
Benzenesulfono-o-toluidide
CID 87657
(E)-N-(4-Fluorophenyl)-2-Phenylethenesulfonamide
CID 730266
4-amino-N-(2-methylphenyl)benzene-1-sulfonamide
CID 593569
N-(5-amino-2-methylphenyl)methanesulfonamide
CID 2774210
N-(2-ethyl-6-methylphenyl)-1-phenylmethanesulfonamide
CID 669257
N-(2,3-dimethylphenyl)methanesulfonamide
CID 669019

Frequently Asked Questions

What is the IUPAC name of [2-(methanesulfonamido)phenyl]methanesulfonamide?
The IUPAC name of [2-(methanesulfonamido)phenyl]methanesulfonamide (CID 170547357) is [2-(methanesulfonamido)phenyl]methanesulfonamide.
What is the SMILES notation for [2-(methanesulfonamido)phenyl]methanesulfonamide?
The canonical SMILES for [2-(methanesulfonamido)phenyl]methanesulfonamide is CS(=O)(=O)Nc1ccccc1CS(N)(=O)=O.
What is the InChIKey of [2-(methanesulfonamido)phenyl]methanesulfonamide?
The InChIKey is CNPVTGYOXQVAMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O4S2/c1-15(11,12)10-8-5-3-2-4-7(8)6-16(9,13)14/h2-5,10H,6H2,1H3,(H2,9,13,14).
What are the key properties of [2-(methanesulfonamido)phenyl]methanesulfonamide?
[2-(methanesulfonamido)phenyl]methanesulfonamide has a molecular weight of 264.33 g/mol, XLogP of -0.15, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(methanesulfonamido)phenyl]methanesulfonamide is sourced from PubChem (CID 170547357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).