3-methylsulfonyl-N-phenylbenzenesulfonamide

C13H13NO4S2 — CID 6461889

IUPAC3-methylsulfonyl-N-phenylbenzenesulfonamide
SMILESCS(=O)(=O)c1cccc(S(=O)(=O)Nc2ccccc2)c1
InChIInChI=1S/C13H13NO4S2/c1-19(15,16)12-8-5-9-13(10-12)20(17,18)14-11-6-3-2-4-7-11/h2-10,14H,1H3
InChIKeyLNDLDRNDYKFCNE-UHFFFAOYSA-N
MW311.38 g/mol
LogP1.89
Rot. Bonds4

About 3-methylsulfonyl-N-phenylbenzenesulfonamide

3-methylsulfonyl-N-phenylbenzenesulfonamide (PubChem CID 6461889) has the molecular formula C13H13NO4S2 and a molecular weight of 311.38 g/mol. Its IUPAC name is 3-methylsulfonyl-N-phenylbenzenesulfonamide.

Molecular Properties

Compound Name3-methylsulfonyl-N-phenylbenzenesulfonamide
PubChem CID6461889
Molecular FormulaC13H13NO4S2
Molecular Weight311.38 g/mol
Exact Mass311.03
IUPAC Name3-methylsulfonyl-N-phenylbenzenesulfonamide
SMILESCS(=O)(=O)c1cccc(S(=O)(=O)Nc2ccccc2)c1
InChIInChI=1S/C13H13NO4S2/c1-19(15,16)12-8-5-9-13(10-12)20(17,18)14-11-6-3-2-4-7-11/h2-10,14H,1H3
InChIKeyLNDLDRNDYKFCNE-UHFFFAOYSA-N
XLogP1.89
TPSA80.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-N,3-N-dimethyl-1-N-phenylbenzene-1,3-disulfonamide
CID 25331317
5-[(3-methylsulfonylphenyl)sulfonylamino]benzene-1,3-disulfonate
CID 176777217
N,3-diphenylbenzenesulfonamide
CID 54513984
3-(chloro-methylidene-oxo-λ6-sulfanyl)-N-phenylbenzenesulfonamide
CID 123254943
N-[4-[4-(methylamino)phenoxy]phenyl]-3-methylsulfonylbenzenesulfonamide
CID 59994937
4-(benzenesulfonamido)-N-phenylbenzenesulfonamide
CID 1333712
3-formyl-N-phenylbenzenesulfonamide
CID 22601475
ethane;N-hydroxy-3-methylsulfonylbenzenesulfonamide
CID 144672810
N-(2-methylpropyl)-3-methylsulfonylbenzenesulfonamide
CID 47154529
3-(phenylsulfamoyl)benzoyl chloride
CID 22137852
N-(3-methylsulfonylphenyl)-4-(trifluoromethyl)benzenesulfonamide
CID 8842839
1-methyl-3-[3-(phenylsulfamoyl)phenyl]thiourea
CID 43075994

Frequently Asked Questions

What is the IUPAC name of 3-methylsulfonyl-N-phenylbenzenesulfonamide?
The IUPAC name of 3-methylsulfonyl-N-phenylbenzenesulfonamide (CID 6461889) is 3-methylsulfonyl-N-phenylbenzenesulfonamide.
What is the SMILES notation for 3-methylsulfonyl-N-phenylbenzenesulfonamide?
The canonical SMILES for 3-methylsulfonyl-N-phenylbenzenesulfonamide is CS(=O)(=O)c1cccc(S(=O)(=O)Nc2ccccc2)c1.
What is the InChIKey of 3-methylsulfonyl-N-phenylbenzenesulfonamide?
The InChIKey is LNDLDRNDYKFCNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO4S2/c1-19(15,16)12-8-5-9-13(10-12)20(17,18)14-11-6-3-2-4-7-11/h2-10,14H,1H3.
What are the key properties of 3-methylsulfonyl-N-phenylbenzenesulfonamide?
3-methylsulfonyl-N-phenylbenzenesulfonamide has a molecular weight of 311.38 g/mol, XLogP of 1.89, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylsulfonyl-N-phenylbenzenesulfonamide is sourced from PubChem (CID 6461889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).