N,N-dimethyl-3-methylsulfonylbenzenesulfonamide

C9H13NO4S2 — CID 6462774

IUPACN,N-dimethyl-3-methylsulfonylbenzenesulfonamide
SMILESCN(C)S(=O)(=O)c1cccc(S(C)(=O)=O)c1
InChIInChI=1S/C9H13NO4S2/c1-10(2)16(13,14)9-6-4-5-8(7-9)15(3,11)12/h4-7H,1-3H3
InChIKeyYXBRKZYGAJQYIZ-UHFFFAOYSA-N
MW263.34 g/mol
LogP0.34
Rot. Bonds3

About N,N-dimethyl-3-methylsulfonylbenzenesulfonamide

N,N-dimethyl-3-methylsulfonylbenzenesulfonamide (PubChem CID 6462774) has the molecular formula C9H13NO4S2 and a molecular weight of 263.34 g/mol. Its IUPAC name is N,N-dimethyl-3-methylsulfonylbenzenesulfonamide.

Molecular Properties

Compound NameN,N-dimethyl-3-methylsulfonylbenzenesulfonamide
PubChem CID6462774
Molecular FormulaC9H13NO4S2
Molecular Weight263.34 g/mol
Exact Mass263.03
IUPAC NameN,N-dimethyl-3-methylsulfonylbenzenesulfonamide
SMILESCN(C)S(=O)(=O)c1cccc(S(C)(=O)=O)c1
InChIInChI=1S/C9H13NO4S2/c1-10(2)16(13,14)9-6-4-5-8(7-9)15(3,11)12/h4-7H,1-3H3
InChIKeyYXBRKZYGAJQYIZ-UHFFFAOYSA-N
XLogP0.34
TPSA71.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 50.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[bis(methylsulfanyl)methylidene]benzenesulfonamide
CID 727967
N,N-Dimethylbenzenesulfonamide
CID 84423
4-(Methanesulfonyl)benzene-1-sulfonamide
CID 120313
Methylthiomethyl phenyl sulfone
CID 643313
4-(Propylsulfanyl)benzenesulfonamide
CID 71720662
3-[Methyl(phenylsulfonyl)amino]thiolane-1,1-dione
CID 3152342
(S)-(+)-N,S-Dimethyl-S-phenylsulfoximine
CID 25037842
3-[3-(diethylsulfamoyl)phenyl]sulfonyl-N,N-diethylbenzenesulfonamide
CID 2227567
1-(3-Methylsulfonylphenyl)sulfonylazepane
CID 6457455
Methyl[methyl(oxo)phenyl-lambda6-sulfanylidene]amine
CID 519772
Cxl-1020
CID 52939580
4-(Dimethylsulfamoyl)benzene-1-sulfonyl chloride
CID 3840092

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-methylsulfonylbenzenesulfonamide?
The IUPAC name of N,N-dimethyl-3-methylsulfonylbenzenesulfonamide (CID 6462774) is N,N-dimethyl-3-methylsulfonylbenzenesulfonamide.
What is the SMILES notation for N,N-dimethyl-3-methylsulfonylbenzenesulfonamide?
The canonical SMILES for N,N-dimethyl-3-methylsulfonylbenzenesulfonamide is CN(C)S(=O)(=O)c1cccc(S(C)(=O)=O)c1.
What is the InChIKey of N,N-dimethyl-3-methylsulfonylbenzenesulfonamide?
The InChIKey is YXBRKZYGAJQYIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO4S2/c1-10(2)16(13,14)9-6-4-5-8(7-9)15(3,11)12/h4-7H,1-3H3.
What are the key properties of N,N-dimethyl-3-methylsulfonylbenzenesulfonamide?
N,N-dimethyl-3-methylsulfonylbenzenesulfonamide has a molecular weight of 263.34 g/mol, XLogP of 0.34, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-methylsulfonylbenzenesulfonamide is sourced from PubChem (CID 6462774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).