4-N-[(2-chlorophenyl)methyl]-1-N-methylbenzene-1,4-disulfonamide

C14H15ClN2O4S2 — CID 58188904

IUPAC4-N-[(2-chlorophenyl)methyl]-1-N-methylbenzene-1,4-disulfonamide
SMILESCNS(=O)(=O)c1ccc(S(=O)(=O)NCc2ccccc2Cl)cc1
InChIInChI=1S/C14H15ClN2O4S2/c1-16-22(18,19)12-6-8-13(9-7-12)23(20,21)17-10-11-4-2-3-5-14(11)15/h2-9,16-17H,10H2,1H3
InChIKeyIENJYSJXNYDBFK-UHFFFAOYSA-N
MW374.87 g/mol
LogP1.73
Rot. Bonds6

About 4-N-[(2-chlorophenyl)methyl]-1-N-methylbenzene-1,4-disulfonamide

4-N-[(2-chlorophenyl)methyl]-1-N-methylbenzene-1,4-disulfonamide (PubChem CID 58188904) has the molecular formula C14H15ClN2O4S2 and a molecular weight of 374.87 g/mol. Its IUPAC name is 4-N-[(2-chlorophenyl)methyl]-1-N-methylbenzene-1,4-disulfonamide.

Molecular Properties

Compound Name4-N-[(2-chlorophenyl)methyl]-1-N-methylbenzene-1,4-disulfonamide
PubChem CID58188904
Molecular FormulaC14H15ClN2O4S2
Molecular Weight374.87 g/mol
Exact Mass374.02
IUPAC Name4-N-[(2-chlorophenyl)methyl]-1-N-methylbenzene-1,4-disulfonamide
SMILESCNS(=O)(=O)c1ccc(S(=O)(=O)NCc2ccccc2Cl)cc1
InChIInChI=1S/C14H15ClN2O4S2/c1-16-22(18,19)12-6-8-13(9-7-12)23(20,21)17-10-11-4-2-3-5-14(11)15/h2-9,16-17H,10H2,1H3
InChIKeyIENJYSJXNYDBFK-UHFFFAOYSA-N
XLogP1.73
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.87
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-N-[(2-chlorophenyl)methyl]-1-N-methylbenzene-1,4-disulfonamide?
The IUPAC name of 4-N-[(2-chlorophenyl)methyl]-1-N-methylbenzene-1,4-disulfonamide (CID 58188904) is 4-N-[(2-chlorophenyl)methyl]-1-N-methylbenzene-1,4-disulfonamide.
What is the SMILES notation for 4-N-[(2-chlorophenyl)methyl]-1-N-methylbenzene-1,4-disulfonamide?
The canonical SMILES for 4-N-[(2-chlorophenyl)methyl]-1-N-methylbenzene-1,4-disulfonamide is CNS(=O)(=O)c1ccc(S(=O)(=O)NCc2ccccc2Cl)cc1.
What is the InChIKey of 4-N-[(2-chlorophenyl)methyl]-1-N-methylbenzene-1,4-disulfonamide?
The InChIKey is IENJYSJXNYDBFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O4S2/c1-16-22(18,19)12-6-8-13(9-7-12)23(20,21)17-10-11-4-2-3-5-14(11)15/h2-9,16-17H,10H2,1H3.
What are the key properties of 4-N-[(2-chlorophenyl)methyl]-1-N-methylbenzene-1,4-disulfonamide?
4-N-[(2-chlorophenyl)methyl]-1-N-methylbenzene-1,4-disulfonamide has a molecular weight of 374.87 g/mol, XLogP of 1.73, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(2-chlorophenyl)methyl]-1-N-methylbenzene-1,4-disulfonamide is sourced from PubChem (CID 58188904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).