N-(2,4-dichlorophenyl)-4-naphthalen-2-ylbenzenesulfonamide

C22H15Cl2NO2S — CID 156767618

IUPACN-(2,4-dichlorophenyl)-4-naphthalen-2-ylbenzenesulfonamide
SMILESO=S(=O)(Nc1ccc(Cl)cc1Cl)c1ccc(-c2ccc3ccccc3c2)cc1
InChIInChI=1S/C22H15Cl2NO2S/c23-19-9-12-22(21(24)14-19)25-28(26,27)20-10-7-16(8-11-20)18-6-5-15-3-1-2-4-17(15)13-18/h1-14,25H
InChIKeyMVRZZELRUJZHAI-UHFFFAOYSA-N
MW428.34 g/mol
LogP6.61
Rot. Bonds4

About N-(2,4-dichlorophenyl)-4-naphthalen-2-ylbenzenesulfonamide

N-(2,4-dichlorophenyl)-4-naphthalen-2-ylbenzenesulfonamide (PubChem CID 156767618) has the molecular formula C22H15Cl2NO2S and a molecular weight of 428.34 g/mol. Its IUPAC name is N-(2,4-dichlorophenyl)-4-naphthalen-2-ylbenzenesulfonamide.

Molecular Properties

Compound NameN-(2,4-dichlorophenyl)-4-naphthalen-2-ylbenzenesulfonamide
PubChem CID156767618
Molecular FormulaC22H15Cl2NO2S
Molecular Weight428.34 g/mol
Exact Mass427.02
IUPAC NameN-(2,4-dichlorophenyl)-4-naphthalen-2-ylbenzenesulfonamide
SMILESO=S(=O)(Nc1ccc(Cl)cc1Cl)c1ccc(-c2ccc3ccccc3c2)cc1
InChIInChI=1S/C22H15Cl2NO2S/c23-19-9-12-22(21(24)14-19)25-28(26,27)20-10-7-16(8-11-20)18-6-5-15-3-1-2-4-17(15)13-18/h1-14,25H
InChIKeyMVRZZELRUJZHAI-UHFFFAOYSA-N
XLogP6.61
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.34
LogP ≤ 56.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,4-dichlorophenyl)-4-methylsulfonylbenzenesulfonamide
CID 46534846
3-chloro-N-(2,4-dichlorophenyl)benzenesulfonamide
CID 26952629
(2R)-N-[4-[(2,4-dichlorophenyl)sulfamoyl]phenyl]-2-naphthalen-2-yloxybutanamide
CID 94864467
N-(4-chloronaphthalen-1-yl)naphthalene-2-sulfonamide
CID 3457821
N-(2,3,4-trifluorophenyl)naphthalene-2-sulfonamide
CID 9464601
4-chloro-N-(2-chloro-4-methoxyphenyl)benzenesulfonamide
CID 4994976
4-chloro-N-(2-chloro-4-nitrophenyl)benzenesulfonamide
CID 2796797
2-[(4-chlorophenyl)sulfonylamino]naphthalene-1-carboxylic acid
CID 10044144
N-[4-[(2,3-dichlorophenyl)sulfamoyl]phenyl]naphthalene-2-sulfonamide
CID 126387209
4-amino-N-(2,5-dichlorophenyl)benzenesulfonamide
CID 28590083
N-(2,5-difluorophenyl)naphthalene-2-sulfonamide
CID 22773480
2-(benzenesulfonamido)-N-(2,4-dichlorophenyl)benzamide
CID 155547933

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dichlorophenyl)-4-naphthalen-2-ylbenzenesulfonamide?
The IUPAC name of N-(2,4-dichlorophenyl)-4-naphthalen-2-ylbenzenesulfonamide (CID 156767618) is N-(2,4-dichlorophenyl)-4-naphthalen-2-ylbenzenesulfonamide.
What is the SMILES notation for N-(2,4-dichlorophenyl)-4-naphthalen-2-ylbenzenesulfonamide?
The canonical SMILES for N-(2,4-dichlorophenyl)-4-naphthalen-2-ylbenzenesulfonamide is O=S(=O)(Nc1ccc(Cl)cc1Cl)c1ccc(-c2ccc3ccccc3c2)cc1.
What is the InChIKey of N-(2,4-dichlorophenyl)-4-naphthalen-2-ylbenzenesulfonamide?
The InChIKey is MVRZZELRUJZHAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15Cl2NO2S/c23-19-9-12-22(21(24)14-19)25-28(26,27)20-10-7-16(8-11-20)18-6-5-15-3-1-2-4-17(15)13-18/h1-14,25H.
What are the key properties of N-(2,4-dichlorophenyl)-4-naphthalen-2-ylbenzenesulfonamide?
N-(2,4-dichlorophenyl)-4-naphthalen-2-ylbenzenesulfonamide has a molecular weight of 428.34 g/mol, XLogP of 6.61, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dichlorophenyl)-4-naphthalen-2-ylbenzenesulfonamide is sourced from PubChem (CID 156767618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).