N-benzyl-2-chloro-5-(4-chlorophenyl)sulfonylbenzenesulfonamide

C19H15Cl2NO4S2 — CID 1355651

IUPACN-benzyl-2-chloro-5-(4-chlorophenyl)sulfonylbenzenesulfonamide
SMILESO=S(=O)(NCc1ccccc1)c1cc(S(=O)(=O)c2ccc(Cl)cc2)ccc1Cl
InChIInChI=1S/C19H15Cl2NO4S2/c20-15-6-8-16(9-7-15)27(23,24)17-10-11-18(21)19(12-17)28(25,26)22-13-14-4-2-1-3-5-14/h1-12,22H,13H2
InChIKeyGVVZXIFXTCYAIB-UHFFFAOYSA-N
MW456.37 g/mol
LogP4.30
Rot. Bonds6

About N-benzyl-2-chloro-5-(4-chlorophenyl)sulfonylbenzenesulfonamide

N-benzyl-2-chloro-5-(4-chlorophenyl)sulfonylbenzenesulfonamide (PubChem CID 1355651) has the molecular formula C19H15Cl2NO4S2 and a molecular weight of 456.37 g/mol. Its IUPAC name is N-benzyl-2-chloro-5-(4-chlorophenyl)sulfonylbenzenesulfonamide.

Molecular Properties

Compound NameN-benzyl-2-chloro-5-(4-chlorophenyl)sulfonylbenzenesulfonamide
PubChem CID1355651
Molecular FormulaC19H15Cl2NO4S2
Molecular Weight456.37 g/mol
Exact Mass454.98
IUPAC NameN-benzyl-2-chloro-5-(4-chlorophenyl)sulfonylbenzenesulfonamide
SMILESO=S(=O)(NCc1ccccc1)c1cc(S(=O)(=O)c2ccc(Cl)cc2)ccc1Cl
InChIInChI=1S/C19H15Cl2NO4S2/c20-15-6-8-16(9-7-15)27(23,24)17-10-11-18(21)19(12-17)28(25,26)22-13-14-4-2-1-3-5-14/h1-12,22H,13H2
InChIKeyGVVZXIFXTCYAIB-UHFFFAOYSA-N
XLogP4.30
TPSA80.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.37
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-3-chlorobenzenesulfonamide
CID 2405255
2,5-dichloro-N-[[4-(dimethylsulfamoyl)phenyl]methyl]benzenesulfonamide
CID 17248785
N-[(4-aminophenyl)methyl]-2,5-dichlorobenzenesulfonamide
CID 43604538
N-benzyl-5-(2-bromoacetyl)-2-chlorobenzenesulfonamide
CID 21316702
3-chloro-N-[(4-chlorophenyl)methyl]-4-fluorobenzenesulfonamide
CID 26945724
4-chloro-N-[(2-chlorophenyl)methyl]benzenesulfonamide
CID 2492101
2-chloro-5-methylsulfonyl-N-(2-phenylethyl)benzenesulfonamide
CID 134043562
2,5-dichloro-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 660168
5-(azepane-1-carbonyl)-N-benzyl-2-chlorobenzenesulfonamide
CID 9314912
4-(benzenesulfonyl)-2-(4-chlorophenyl)sulfonylphenol
CID 19710946
N-[(3-chloro-4-fluorophenyl)methyl]benzenesulfonamide
CID 3752569
3-amino-N-benzyl-4-fluorobenzenesulfonamide
CID 29272366

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-chloro-5-(4-chlorophenyl)sulfonylbenzenesulfonamide?
The IUPAC name of N-benzyl-2-chloro-5-(4-chlorophenyl)sulfonylbenzenesulfonamide (CID 1355651) is N-benzyl-2-chloro-5-(4-chlorophenyl)sulfonylbenzenesulfonamide.
What is the SMILES notation for N-benzyl-2-chloro-5-(4-chlorophenyl)sulfonylbenzenesulfonamide?
The canonical SMILES for N-benzyl-2-chloro-5-(4-chlorophenyl)sulfonylbenzenesulfonamide is O=S(=O)(NCc1ccccc1)c1cc(S(=O)(=O)c2ccc(Cl)cc2)ccc1Cl.
What is the InChIKey of N-benzyl-2-chloro-5-(4-chlorophenyl)sulfonylbenzenesulfonamide?
The InChIKey is GVVZXIFXTCYAIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15Cl2NO4S2/c20-15-6-8-16(9-7-15)27(23,24)17-10-11-18(21)19(12-17)28(25,26)22-13-14-4-2-1-3-5-14/h1-12,22H,13H2.
What are the key properties of N-benzyl-2-chloro-5-(4-chlorophenyl)sulfonylbenzenesulfonamide?
N-benzyl-2-chloro-5-(4-chlorophenyl)sulfonylbenzenesulfonamide has a molecular weight of 456.37 g/mol, XLogP of 4.30, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-chloro-5-(4-chlorophenyl)sulfonylbenzenesulfonamide is sourced from PubChem (CID 1355651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).