2,4-dichloro-N-naphthalen-1-ylbenzenesulfonamide

C16H11Cl2NO2S — CID 70133318

IUPAC2,4-dichloro-N-naphthalen-1-ylbenzenesulfonamide
SMILESO=S(=O)(Nc1cccc2ccccc12)c1ccc(Cl)cc1Cl
InChIInChI=1S/C16H11Cl2NO2S/c17-12-8-9-16(14(18)10-12)22(20,21)19-15-7-3-5-11-4-1-2-6-13(11)15/h1-10,19H
InChIKeyPKTXIRUJZHRVPR-UHFFFAOYSA-N
MW352.24 g/mol
LogP4.95
Rot. Bonds3

About 2,4-dichloro-N-naphthalen-1-ylbenzenesulfonamide

2,4-dichloro-N-naphthalen-1-ylbenzenesulfonamide (PubChem CID 70133318) has the molecular formula C16H11Cl2NO2S and a molecular weight of 352.24 g/mol. Its IUPAC name is 2,4-dichloro-N-naphthalen-1-ylbenzenesulfonamide.

Molecular Properties

Compound Name2,4-dichloro-N-naphthalen-1-ylbenzenesulfonamide
PubChem CID70133318
Molecular FormulaC16H11Cl2NO2S
Molecular Weight352.24 g/mol
Exact Mass350.99
IUPAC Name2,4-dichloro-N-naphthalen-1-ylbenzenesulfonamide
SMILESO=S(=O)(Nc1cccc2ccccc12)c1ccc(Cl)cc1Cl
InChIInChI=1S/C16H11Cl2NO2S/c17-12-8-9-16(14(18)10-12)22(20,21)19-15-7-3-5-11-4-1-2-6-13(11)15/h1-10,19H
InChIKeyPKTXIRUJZHRVPR-UHFFFAOYSA-N
XLogP4.95
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.24
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,4-dichloro-N-[2-[(2,4-dichlorophenyl)sulfonylamino]phenyl]benzenesulfonamide
CID 70137943
3-chloro-4-fluoro-N-naphthalen-1-ylbenzenesulfonamide
CID 3464007
2,4-dichloro-5-(naphthalen-1-ylsulfamoyl)benzoate
CID 7042318
2,4-dichloro-N-(4-piperazin-1-ylnaphthalen-1-yl)benzenesulfonamide
CID 10277045
3-chloro-5-fluoro-N-naphthalen-1-ylbenzenesulfonamide
CID 59533991
N-naphthalen-1-yl-2-nitrobenzenesulfonamide
CID 681787
2-chloro-N-(4-chloronaphthalen-1-yl)-4-fluorobenzenesulfonamide
CID 3875086
4-bromo-N-(2-bromo-5-chlorophenyl)-2-chlorobenzenesulfonamide
CID 81275585
5-chloro-2-fluoro-N-(2-fluorophenyl)benzenesulfonamide
CID 110759379
2,4-dichloro-N-(2-oxoethyl)benzenesulfonamide
CID 143489858
2,4-dichloro-N-(3,4-dihydroxy-9,10-dioxoanthracen-2-yl)benzenesulfonamide
CID 175227931
2,4-dichloro-N-[(2-chlorophenyl)methyl]benzenesulfonamide
CID 125467959

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-naphthalen-1-ylbenzenesulfonamide?
The IUPAC name of 2,4-dichloro-N-naphthalen-1-ylbenzenesulfonamide (CID 70133318) is 2,4-dichloro-N-naphthalen-1-ylbenzenesulfonamide.
What is the SMILES notation for 2,4-dichloro-N-naphthalen-1-ylbenzenesulfonamide?
The canonical SMILES for 2,4-dichloro-N-naphthalen-1-ylbenzenesulfonamide is O=S(=O)(Nc1cccc2ccccc12)c1ccc(Cl)cc1Cl.
What is the InChIKey of 2,4-dichloro-N-naphthalen-1-ylbenzenesulfonamide?
The InChIKey is PKTXIRUJZHRVPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11Cl2NO2S/c17-12-8-9-16(14(18)10-12)22(20,21)19-15-7-3-5-11-4-1-2-6-13(11)15/h1-10,19H.
What are the key properties of 2,4-dichloro-N-naphthalen-1-ylbenzenesulfonamide?
2,4-dichloro-N-naphthalen-1-ylbenzenesulfonamide has a molecular weight of 352.24 g/mol, XLogP of 4.95, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-naphthalen-1-ylbenzenesulfonamide is sourced from PubChem (CID 70133318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).