3-N-benzyl-3-N-cyclopropylbenzene-1,3-disulfonamide

C16H18N2O4S2 — CID 31820934

IUPAC3-N-benzyl-3-N-cyclopropylbenzene-1,3-disulfonamide
SMILESNS(=O)(=O)c1cccc(S(=O)(=O)N(Cc2ccccc2)C2CC2)c1
InChIInChI=1S/C16H18N2O4S2/c17-23(19,20)15-7-4-8-16(11-15)24(21,22)18(14-9-10-14)12-13-5-2-1-3-6-13/h1-8,11,14H,9-10,12H2,(H2,17,19,20)
InChIKeyWNSWIWMPIYTRRT-UHFFFAOYSA-N
MW366.46 g/mol
LogP1.69
Rot. Bonds6

About 3-N-benzyl-3-N-cyclopropylbenzene-1,3-disulfonamide

3-N-benzyl-3-N-cyclopropylbenzene-1,3-disulfonamide (PubChem CID 31820934) has the molecular formula C16H18N2O4S2 and a molecular weight of 366.46 g/mol. Its IUPAC name is 3-N-benzyl-3-N-cyclopropylbenzene-1,3-disulfonamide.

Molecular Properties

Compound Name3-N-benzyl-3-N-cyclopropylbenzene-1,3-disulfonamide
PubChem CID31820934
Molecular FormulaC16H18N2O4S2
Molecular Weight366.46 g/mol
Exact Mass366.07
IUPAC Name3-N-benzyl-3-N-cyclopropylbenzene-1,3-disulfonamide
SMILESNS(=O)(=O)c1cccc(S(=O)(=O)N(Cc2ccccc2)C2CC2)c1
InChIInChI=1S/C16H18N2O4S2/c17-23(19,20)15-7-4-8-16(11-15)24(21,22)18(14-9-10-14)12-13-5-2-1-3-6-13/h1-8,11,14H,9-10,12H2,(H2,17,19,20)
InChIKeyWNSWIWMPIYTRRT-UHFFFAOYSA-N
XLogP1.69
TPSA97.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-N-benzyl-3-N-cyclopropylbenzene-1,3-disulfonamide?
The IUPAC name of 3-N-benzyl-3-N-cyclopropylbenzene-1,3-disulfonamide (CID 31820934) is 3-N-benzyl-3-N-cyclopropylbenzene-1,3-disulfonamide.
What is the SMILES notation for 3-N-benzyl-3-N-cyclopropylbenzene-1,3-disulfonamide?
The canonical SMILES for 3-N-benzyl-3-N-cyclopropylbenzene-1,3-disulfonamide is NS(=O)(=O)c1cccc(S(=O)(=O)N(Cc2ccccc2)C2CC2)c1.
What is the InChIKey of 3-N-benzyl-3-N-cyclopropylbenzene-1,3-disulfonamide?
The InChIKey is WNSWIWMPIYTRRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O4S2/c17-23(19,20)15-7-4-8-16(11-15)24(21,22)18(14-9-10-14)12-13-5-2-1-3-6-13/h1-8,11,14H,9-10,12H2,(H2,17,19,20).
What are the key properties of 3-N-benzyl-3-N-cyclopropylbenzene-1,3-disulfonamide?
3-N-benzyl-3-N-cyclopropylbenzene-1,3-disulfonamide has a molecular weight of 366.46 g/mol, XLogP of 1.69, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-benzyl-3-N-cyclopropylbenzene-1,3-disulfonamide is sourced from PubChem (CID 31820934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).