3,5-dichloro-N-(5-propanoylnaphthalen-1-yl)benzenesulfonamide

C19H15Cl2NO3S — CID 58496889

IUPAC3,5-dichloro-N-(5-propanoylnaphthalen-1-yl)benzenesulfonamide
SMILESCCC(=O)c1cccc2c(NS(=O)(=O)c3cc(Cl)cc(Cl)c3)cccc12
InChIInChI=1S/C19H15Cl2NO3S/c1-2-19(23)17-7-3-6-16-15(17)5-4-8-18(16)22-26(24,25)14-10-12(20)9-13(21)11-14/h3-11,22H,2H2,1H3
InChIKeyGOIXZGITTVRDBW-UHFFFAOYSA-N
MW408.31 g/mol
LogP5.54
Rot. Bonds5

About 3,5-dichloro-N-(5-propanoylnaphthalen-1-yl)benzenesulfonamide

3,5-dichloro-N-(5-propanoylnaphthalen-1-yl)benzenesulfonamide (PubChem CID 58496889) has the molecular formula C19H15Cl2NO3S and a molecular weight of 408.31 g/mol. Its IUPAC name is 3,5-dichloro-N-(5-propanoylnaphthalen-1-yl)benzenesulfonamide.

Molecular Properties

Compound Name3,5-dichloro-N-(5-propanoylnaphthalen-1-yl)benzenesulfonamide
PubChem CID58496889
Molecular FormulaC19H15Cl2NO3S
Molecular Weight408.31 g/mol
Exact Mass407.01
IUPAC Name3,5-dichloro-N-(5-propanoylnaphthalen-1-yl)benzenesulfonamide
SMILESCCC(=O)c1cccc2c(NS(=O)(=O)c3cc(Cl)cc(Cl)c3)cccc12
InChIInChI=1S/C19H15Cl2NO3S/c1-2-19(23)17-7-3-6-16-15(17)5-4-8-18(16)22-26(24,25)14-10-12(20)9-13(21)11-14/h3-11,22H,2H2,1H3
InChIKeyGOIXZGITTVRDBW-UHFFFAOYSA-N
XLogP5.54
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.31
LogP ≤ 55.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,5-dichloro-N-(5-hydroxynaphthalen-1-yl)benzenesulfonamide
CID 58496706
5-[(3,5-dichlorophenyl)sulfonylamino]-N-[(3-methoxyphenyl)methyl]naphthalene-1-carboxamide
CID 66908825
5-[(3,5-dichlorophenyl)sulfonylamino]-N,N-dimethylnaphthalene-1-sulfonamide;methane
CID 159593175
3,5-dichloro-N-(2-hydroxyphenyl)benzenesulfonamide
CID 4993615
3-chloro-5-fluoro-N-naphthalen-1-ylbenzenesulfonamide
CID 59533991
N-(2-chloro-3-propanoylphenyl)methanesulfonamide
CID 70986123
3-[[5-hydroxy-6-(propanoylamino)naphthalen-1-yl]sulfamoyl]benzenesulfonic acid
CID 19987122
N-[3-[(3,5-dichlorophenyl)sulfonylamino]phenyl]acetamide
CID 4816692
N-[5-(benzenesulfonamido)naphthalen-1-yl]benzenesulfonamide
CID 3389796
tert-butyl 2-[(3,5-dichlorophenyl)sulfonyl-(5-propanoylnaphthalen-2-yl)amino]acetate
CID 58496882
N-benzyl-1-[(3,5-dichlorophenyl)sulfonylamino]naphthalene-2-carboxamide
CID 59534043
3,5-dichloro-N-(2-sulfamoylphenyl)benzenesulfonamide
CID 47060111

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-N-(5-propanoylnaphthalen-1-yl)benzenesulfonamide?
The IUPAC name of 3,5-dichloro-N-(5-propanoylnaphthalen-1-yl)benzenesulfonamide (CID 58496889) is 3,5-dichloro-N-(5-propanoylnaphthalen-1-yl)benzenesulfonamide.
What is the SMILES notation for 3,5-dichloro-N-(5-propanoylnaphthalen-1-yl)benzenesulfonamide?
The canonical SMILES for 3,5-dichloro-N-(5-propanoylnaphthalen-1-yl)benzenesulfonamide is CCC(=O)c1cccc2c(NS(=O)(=O)c3cc(Cl)cc(Cl)c3)cccc12.
What is the InChIKey of 3,5-dichloro-N-(5-propanoylnaphthalen-1-yl)benzenesulfonamide?
The InChIKey is GOIXZGITTVRDBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15Cl2NO3S/c1-2-19(23)17-7-3-6-16-15(17)5-4-8-18(16)22-26(24,25)14-10-12(20)9-13(21)11-14/h3-11,22H,2H2,1H3.
What are the key properties of 3,5-dichloro-N-(5-propanoylnaphthalen-1-yl)benzenesulfonamide?
3,5-dichloro-N-(5-propanoylnaphthalen-1-yl)benzenesulfonamide has a molecular weight of 408.31 g/mol, XLogP of 5.54, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-N-(5-propanoylnaphthalen-1-yl)benzenesulfonamide is sourced from PubChem (CID 58496889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).