1-N-(2,3-dimethylphenyl)-4-N,4-N-dimethylbenzene-1,4-disulfonamide

C16H20N2O4S2 — CID 17479785

IUPAC1-N-(2,3-dimethylphenyl)-4-N,4-N-dimethylbenzene-1,4-disulfonamide
SMILESCc1cccc(NS(=O)(=O)c2ccc(S(=O)(=O)N(C)C)cc2)c1C
InChIInChI=1S/C16H20N2O4S2/c1-12-6-5-7-16(13(12)2)17-23(19,20)14-8-10-15(11-9-14)24(21,22)18(3)4/h5-11,17H,1-4H3
InChIKeyHLCHIJPWAOCCNJ-UHFFFAOYSA-N
MW368.48 g/mol
LogP2.35
Rot. Bonds5

About 1-N-(2,3-dimethylphenyl)-4-N,4-N-dimethylbenzene-1,4-disulfonamide

1-N-(2,3-dimethylphenyl)-4-N,4-N-dimethylbenzene-1,4-disulfonamide (PubChem CID 17479785) has the molecular formula C16H20N2O4S2 and a molecular weight of 368.48 g/mol. Its IUPAC name is 1-N-(2,3-dimethylphenyl)-4-N,4-N-dimethylbenzene-1,4-disulfonamide.

Molecular Properties

Compound Name1-N-(2,3-dimethylphenyl)-4-N,4-N-dimethylbenzene-1,4-disulfonamide
PubChem CID17479785
Molecular FormulaC16H20N2O4S2
Molecular Weight368.48 g/mol
Exact Mass368.09
IUPAC Name1-N-(2,3-dimethylphenyl)-4-N,4-N-dimethylbenzene-1,4-disulfonamide
SMILESCc1cccc(NS(=O)(=O)c2ccc(S(=O)(=O)N(C)C)cc2)c1C
InChIInChI=1S/C16H20N2O4S2/c1-12-6-5-7-16(13(12)2)17-23(19,20)14-8-10-15(11-9-14)24(21,22)18(3)4/h5-11,17H,1-4H3
InChIKeyHLCHIJPWAOCCNJ-UHFFFAOYSA-N
XLogP2.35
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-N-(2,3-dimethylphenyl)-4-N,4-N-dimethylbenzene-1,4-disulfonamide?
The IUPAC name of 1-N-(2,3-dimethylphenyl)-4-N,4-N-dimethylbenzene-1,4-disulfonamide (CID 17479785) is 1-N-(2,3-dimethylphenyl)-4-N,4-N-dimethylbenzene-1,4-disulfonamide.
What is the SMILES notation for 1-N-(2,3-dimethylphenyl)-4-N,4-N-dimethylbenzene-1,4-disulfonamide?
The canonical SMILES for 1-N-(2,3-dimethylphenyl)-4-N,4-N-dimethylbenzene-1,4-disulfonamide is Cc1cccc(NS(=O)(=O)c2ccc(S(=O)(=O)N(C)C)cc2)c1C.
What is the InChIKey of 1-N-(2,3-dimethylphenyl)-4-N,4-N-dimethylbenzene-1,4-disulfonamide?
The InChIKey is HLCHIJPWAOCCNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O4S2/c1-12-6-5-7-16(13(12)2)17-23(19,20)14-8-10-15(11-9-14)24(21,22)18(3)4/h5-11,17H,1-4H3.
What are the key properties of 1-N-(2,3-dimethylphenyl)-4-N,4-N-dimethylbenzene-1,4-disulfonamide?
1-N-(2,3-dimethylphenyl)-4-N,4-N-dimethylbenzene-1,4-disulfonamide has a molecular weight of 368.48 g/mol, XLogP of 2.35, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(2,3-dimethylphenyl)-4-N,4-N-dimethylbenzene-1,4-disulfonamide is sourced from PubChem (CID 17479785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).