4-chloro-N-[[3-[[(4-chlorophenyl)sulfonylamino]methyl]phenyl]methyl]benzenesulfonamide

C20H18Cl2N2O4S2 — CID 1009065

IUPAC4-chloro-N-[[3-[[(4-chlorophenyl)sulfonylamino]methyl]phenyl]methyl]benzenesulfonamide
SMILESO=S(=O)(NCc1cccc(CNS(=O)(=O)c2ccc(Cl)cc2)c1)c1ccc(Cl)cc1
InChIInChI=1S/C20H18Cl2N2O4S2/c21-17-4-8-19(9-5-17)29(25,26)23-13-15-2-1-3-16(12-15)14-24-30(27,28)20-10-6-18(22)7-11-20/h1-12,23-24H,13-14H2
InChIKeyJURAQPNZMYVPAP-UHFFFAOYSA-N
MW485.41 g/mol
LogP3.95
Rot. Bonds8

About 4-chloro-N-[[3-[[(4-chlorophenyl)sulfonylamino]methyl]phenyl]methyl]benzenesulfonamide

4-chloro-N-[[3-[[(4-chlorophenyl)sulfonylamino]methyl]phenyl]methyl]benzenesulfonamide (PubChem CID 1009065) has the molecular formula C20H18Cl2N2O4S2 and a molecular weight of 485.41 g/mol. Its IUPAC name is 4-chloro-N-[[3-[[(4-chlorophenyl)sulfonylamino]methyl]phenyl]methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-[[3-[[(4-chlorophenyl)sulfonylamino]methyl]phenyl]methyl]benzenesulfonamide
PubChem CID1009065
Molecular FormulaC20H18Cl2N2O4S2
Molecular Weight485.41 g/mol
Exact Mass484.01
IUPAC Name4-chloro-N-[[3-[[(4-chlorophenyl)sulfonylamino]methyl]phenyl]methyl]benzenesulfonamide
SMILESO=S(=O)(NCc1cccc(CNS(=O)(=O)c2ccc(Cl)cc2)c1)c1ccc(Cl)cc1
InChIInChI=1S/C20H18Cl2N2O4S2/c21-17-4-8-19(9-5-17)29(25,26)23-13-15-2-1-3-16(12-15)14-24-30(27,28)20-10-6-18(22)7-11-20/h1-12,23-24H,13-14H2
InChIKeyJURAQPNZMYVPAP-UHFFFAOYSA-N
XLogP3.95
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.41
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[[3-[[(4-chlorophenyl)sulfonylamino]methyl]phenyl]methyl]benzenesulfonamide?
The IUPAC name of 4-chloro-N-[[3-[[(4-chlorophenyl)sulfonylamino]methyl]phenyl]methyl]benzenesulfonamide (CID 1009065) is 4-chloro-N-[[3-[[(4-chlorophenyl)sulfonylamino]methyl]phenyl]methyl]benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-[[3-[[(4-chlorophenyl)sulfonylamino]methyl]phenyl]methyl]benzenesulfonamide?
The canonical SMILES for 4-chloro-N-[[3-[[(4-chlorophenyl)sulfonylamino]methyl]phenyl]methyl]benzenesulfonamide is O=S(=O)(NCc1cccc(CNS(=O)(=O)c2ccc(Cl)cc2)c1)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[[3-[[(4-chlorophenyl)sulfonylamino]methyl]phenyl]methyl]benzenesulfonamide?
The InChIKey is JURAQPNZMYVPAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18Cl2N2O4S2/c21-17-4-8-19(9-5-17)29(25,26)23-13-15-2-1-3-16(12-15)14-24-30(27,28)20-10-6-18(22)7-11-20/h1-12,23-24H,13-14H2.
What are the key properties of 4-chloro-N-[[3-[[(4-chlorophenyl)sulfonylamino]methyl]phenyl]methyl]benzenesulfonamide?
4-chloro-N-[[3-[[(4-chlorophenyl)sulfonylamino]methyl]phenyl]methyl]benzenesulfonamide has a molecular weight of 485.41 g/mol, XLogP of 3.95, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[[3-[[(4-chlorophenyl)sulfonylamino]methyl]phenyl]methyl]benzenesulfonamide is sourced from PubChem (CID 1009065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).