N-(3-benzylphenyl)-3,4-dichlorobenzenesulfonamide

C19H15Cl2NO2S — CID 3858982

IUPACN-(3-benzylphenyl)-3,4-dichlorobenzenesulfonamide
SMILESO=S(=O)(Nc1cccc(Cc2ccccc2)c1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C19H15Cl2NO2S/c20-18-10-9-17(13-19(18)21)25(23,24)22-16-8-4-7-15(12-16)11-14-5-2-1-3-6-14/h1-10,12-13,22H,11H2
InChIKeyKZHBYOICKBPYON-UHFFFAOYSA-N
MW392.31 g/mol
LogP5.39
Rot. Bonds5

About N-(3-benzylphenyl)-3,4-dichlorobenzenesulfonamide

N-(3-benzylphenyl)-3,4-dichlorobenzenesulfonamide (PubChem CID 3858982) has the molecular formula C19H15Cl2NO2S and a molecular weight of 392.31 g/mol. Its IUPAC name is N-(3-benzylphenyl)-3,4-dichlorobenzenesulfonamide.

Molecular Properties

Compound NameN-(3-benzylphenyl)-3,4-dichlorobenzenesulfonamide
PubChem CID3858982
Molecular FormulaC19H15Cl2NO2S
Molecular Weight392.31 g/mol
Exact Mass391.02
IUPAC NameN-(3-benzylphenyl)-3,4-dichlorobenzenesulfonamide
SMILESO=S(=O)(Nc1cccc(Cc2ccccc2)c1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C19H15Cl2NO2S/c20-18-10-9-17(13-19(18)21)25(23,24)22-16-8-4-7-15(12-16)11-14-5-2-1-3-6-14/h1-10,12-13,22H,11H2
InChIKeyKZHBYOICKBPYON-UHFFFAOYSA-N
XLogP5.39
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.31
LogP ≤ 55.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-benzylphenyl)-3-chloro-4-fluorobenzenesulfonamide
CID 3719426
N-(3-benzylphenyl)benzenesulfonamide
CID 3258853
N-(3-benzylphenyl)-4-methylbenzenesulfonamide
CID 3765217
3-[(3,4-dichlorophenyl)sulfonylamino]benzoic acid
CID 2234493
N-(2-benzamidoethyl)-3-[(3,4-dichlorophenyl)sulfonylamino]benzamide
CID 24659997
3,4-dichloro-N-(3-methoxyphenyl)benzenesulfonamide
CID 7745694
N-[3-(chloromethyl)phenyl]benzenesulfonamide
CID 65033363
1-[3-[(3,4-dichlorophenyl)sulfonylamino]phenyl]-3-methylurea
CID 36511529
N-(3-acetylphenyl)-3,4-dichlorobenzenesulfonamide
CID 3702970
3-bromo-4-chloro-N-[3-(methoxymethyl)phenyl]benzenesulfonamide
CID 106611620
3,4-dichloro-N-(4-phenoxyphenyl)benzenesulfonamide
CID 21210578
3-(3,4-dichlorophenyl)sulfonyl-N-(3-methylphenyl)benzenesulfonamide
CID 1101032

Frequently Asked Questions

What is the IUPAC name of N-(3-benzylphenyl)-3,4-dichlorobenzenesulfonamide?
The IUPAC name of N-(3-benzylphenyl)-3,4-dichlorobenzenesulfonamide (CID 3858982) is N-(3-benzylphenyl)-3,4-dichlorobenzenesulfonamide.
What is the SMILES notation for N-(3-benzylphenyl)-3,4-dichlorobenzenesulfonamide?
The canonical SMILES for N-(3-benzylphenyl)-3,4-dichlorobenzenesulfonamide is O=S(=O)(Nc1cccc(Cc2ccccc2)c1)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of N-(3-benzylphenyl)-3,4-dichlorobenzenesulfonamide?
The InChIKey is KZHBYOICKBPYON-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15Cl2NO2S/c20-18-10-9-17(13-19(18)21)25(23,24)22-16-8-4-7-15(12-16)11-14-5-2-1-3-6-14/h1-10,12-13,22H,11H2.
What are the key properties of N-(3-benzylphenyl)-3,4-dichlorobenzenesulfonamide?
N-(3-benzylphenyl)-3,4-dichlorobenzenesulfonamide has a molecular weight of 392.31 g/mol, XLogP of 5.39, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-benzylphenyl)-3,4-dichlorobenzenesulfonamide is sourced from PubChem (CID 3858982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).