N-[2-(methanesulfonamido)phenyl]-4-methylsulfonylbenzenesulfonamide

C14H16N2O6S3 — CID 43069384

IUPACN-[2-(methanesulfonamido)phenyl]-4-methylsulfonylbenzenesulfonamide
SMILESCS(=O)(=O)Nc1ccccc1NS(=O)(=O)c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C14H16N2O6S3/c1-23(17,18)11-7-9-12(10-8-11)25(21,22)16-14-6-4-3-5-13(14)15-24(2,19)20/h3-10,15-16H,1-2H3
InChIKeyCCRLGPVBADPSMA-UHFFFAOYSA-N
MW404.49 g/mol
LogP1.26
Rot. Bonds6

About N-[2-(methanesulfonamido)phenyl]-4-methylsulfonylbenzenesulfonamide

N-[2-(methanesulfonamido)phenyl]-4-methylsulfonylbenzenesulfonamide (PubChem CID 43069384) has the molecular formula C14H16N2O6S3 and a molecular weight of 404.49 g/mol. Its IUPAC name is N-[2-(methanesulfonamido)phenyl]-4-methylsulfonylbenzenesulfonamide.

Molecular Properties

Compound NameN-[2-(methanesulfonamido)phenyl]-4-methylsulfonylbenzenesulfonamide
PubChem CID43069384
Molecular FormulaC14H16N2O6S3
Molecular Weight404.49 g/mol
Exact Mass404.02
IUPAC NameN-[2-(methanesulfonamido)phenyl]-4-methylsulfonylbenzenesulfonamide
SMILESCS(=O)(=O)Nc1ccccc1NS(=O)(=O)c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C14H16N2O6S3/c1-23(17,18)11-7-9-12(10-8-11)25(21,22)16-14-6-4-3-5-13(14)15-24(2,19)20/h3-10,15-16H,1-2H3
InChIKeyCCRLGPVBADPSMA-UHFFFAOYSA-N
XLogP1.26
TPSA126.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.49
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-chlorophenyl)-4-(methanesulfonamido)benzenesulfonamide
CID 2467720
N-[4-chloro-2-(methanesulfonamido)phenyl]benzenesulfonamide
CID 134879213
N-[2-(methanesulfonamido)phenyl]-2-nitrobenzenesulfonamide
CID 39837774
N-[2-(methanesulfonamido)phenyl]-2-methylbenzenesulfonamide
CID 113093452
N-[2-(benzenesulfonamido)ethyl]-4-methylsulfonylbenzenesulfonamide
CID 166199176
4-methyl-N-[2-[2-[(4-methylphenyl)sulfonylamino]phenyl]phenyl]benzenesulfonamide
CID 1010988
1,3-bis[2-[(4-methylphenyl)sulfonylamino]phenyl]urea
CID 170548847
N-(2,4-dichlorophenyl)-4-methylsulfonylbenzenesulfonamide
CID 46534846
N-[2-[(4-bromophenyl)sulfonylamino]phenyl]acetamide
CID 113093694
N-[2-(methanesulfonamido)phenyl]-2-methylpropanamide
CID 47169208
ethane;N-(2-methylphenyl)methanesulfonamide;molecular hydrogen
CID 143063933
N-[5-(benzenesulfonamido)naphthalen-1-yl]benzenesulfonamide
CID 3389796

Frequently Asked Questions

What is the IUPAC name of N-[2-(methanesulfonamido)phenyl]-4-methylsulfonylbenzenesulfonamide?
The IUPAC name of N-[2-(methanesulfonamido)phenyl]-4-methylsulfonylbenzenesulfonamide (CID 43069384) is N-[2-(methanesulfonamido)phenyl]-4-methylsulfonylbenzenesulfonamide.
What is the SMILES notation for N-[2-(methanesulfonamido)phenyl]-4-methylsulfonylbenzenesulfonamide?
The canonical SMILES for N-[2-(methanesulfonamido)phenyl]-4-methylsulfonylbenzenesulfonamide is CS(=O)(=O)Nc1ccccc1NS(=O)(=O)c1ccc(S(C)(=O)=O)cc1.
What is the InChIKey of N-[2-(methanesulfonamido)phenyl]-4-methylsulfonylbenzenesulfonamide?
The InChIKey is CCRLGPVBADPSMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O6S3/c1-23(17,18)11-7-9-12(10-8-11)25(21,22)16-14-6-4-3-5-13(14)15-24(2,19)20/h3-10,15-16H,1-2H3.
What are the key properties of N-[2-(methanesulfonamido)phenyl]-4-methylsulfonylbenzenesulfonamide?
N-[2-(methanesulfonamido)phenyl]-4-methylsulfonylbenzenesulfonamide has a molecular weight of 404.49 g/mol, XLogP of 1.26, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(methanesulfonamido)phenyl]-4-methylsulfonylbenzenesulfonamide is sourced from PubChem (CID 43069384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).