3-N,3-N-dimethyl-1-N-phenylbenzene-1,3-disulfonamide

C14H16N2O4S2 — CID 25331317

IUPAC3-N,3-N-dimethyl-1-N-phenylbenzene-1,3-disulfonamide
SMILESCN(C)S(=O)(=O)c1cccc(S(=O)(=O)Nc2ccccc2)c1
InChIInChI=1S/C14H16N2O4S2/c1-16(2)22(19,20)14-10-6-9-13(11-14)21(17,18)15-12-7-4-3-5-8-12/h3-11,15H,1-2H3
InChIKeyAYOGTZLCFCJMPO-UHFFFAOYSA-N
MW340.43 g/mol
LogP1.74
Rot. Bonds5

About 3-N,3-N-dimethyl-1-N-phenylbenzene-1,3-disulfonamide

3-N,3-N-dimethyl-1-N-phenylbenzene-1,3-disulfonamide (PubChem CID 25331317) has the molecular formula C14H16N2O4S2 and a molecular weight of 340.43 g/mol. Its IUPAC name is 3-N,3-N-dimethyl-1-N-phenylbenzene-1,3-disulfonamide.

Molecular Properties

Compound Name3-N,3-N-dimethyl-1-N-phenylbenzene-1,3-disulfonamide
PubChem CID25331317
Molecular FormulaC14H16N2O4S2
Molecular Weight340.43 g/mol
Exact Mass340.06
IUPAC Name3-N,3-N-dimethyl-1-N-phenylbenzene-1,3-disulfonamide
SMILESCN(C)S(=O)(=O)c1cccc(S(=O)(=O)Nc2ccccc2)c1
InChIInChI=1S/C14H16N2O4S2/c1-16(2)22(19,20)14-10-6-9-13(11-14)21(17,18)15-12-7-4-3-5-8-12/h3-11,15H,1-2H3
InChIKeyAYOGTZLCFCJMPO-UHFFFAOYSA-N
XLogP1.74
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-methylsulfonyl-N-phenylbenzenesulfonamide
CID 6461889
N,3-diphenylbenzenesulfonamide
CID 54513984
N-[4-(dimethylsulfamoyl)phenyl]naphthalene-2-sulfonamide
CID 2098625
3-N-cyclohexa-1,3-dien-1-yl-3-N-methyl-1-N-phenylbenzene-1,3-disulfonamide
CID 70951142
1-N-(4-chloro-3-cyanophenyl)-3-N,3-N-dimethylbenzene-1,3-disulfonamide
CID 31782478
3-(chloro-methylidene-oxo-λ6-sulfanyl)-N-phenylbenzenesulfonamide
CID 123254943
4-chloro-N-[3-(dimethylsulfamoyl)phenyl]-3-nitrobenzenesulfonamide
CID 26969002
3-(dimethylsulfamoyl)benzenesulfonyl fluoride
CID 114791207
N,N-dimethyl-3-(propan-2-ylsulfonylamino)benzenesulfonamide
CID 63000001
3,4-dimethyl-N-[3-[methyl(phenyl)sulfamoyl]phenyl]benzenesulfonamide
CID 26980942
1-N-(4-chloro-2-fluorophenyl)-3-N,3-N-dimethylbenzene-1,3-disulfonamide
CID 31689735
4-(benzenesulfonamido)-N-phenylbenzenesulfonamide
CID 1333712

Frequently Asked Questions

What is the IUPAC name of 3-N,3-N-dimethyl-1-N-phenylbenzene-1,3-disulfonamide?
The IUPAC name of 3-N,3-N-dimethyl-1-N-phenylbenzene-1,3-disulfonamide (CID 25331317) is 3-N,3-N-dimethyl-1-N-phenylbenzene-1,3-disulfonamide.
What is the SMILES notation for 3-N,3-N-dimethyl-1-N-phenylbenzene-1,3-disulfonamide?
The canonical SMILES for 3-N,3-N-dimethyl-1-N-phenylbenzene-1,3-disulfonamide is CN(C)S(=O)(=O)c1cccc(S(=O)(=O)Nc2ccccc2)c1.
What is the InChIKey of 3-N,3-N-dimethyl-1-N-phenylbenzene-1,3-disulfonamide?
The InChIKey is AYOGTZLCFCJMPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O4S2/c1-16(2)22(19,20)14-10-6-9-13(11-14)21(17,18)15-12-7-4-3-5-8-12/h3-11,15H,1-2H3.
What are the key properties of 3-N,3-N-dimethyl-1-N-phenylbenzene-1,3-disulfonamide?
3-N,3-N-dimethyl-1-N-phenylbenzene-1,3-disulfonamide has a molecular weight of 340.43 g/mol, XLogP of 1.74, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N,3-N-dimethyl-1-N-phenylbenzene-1,3-disulfonamide is sourced from PubChem (CID 25331317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).