3,5-dichloro-N-(5-chloro-6-formylnaphthalen-2-yl)benzenesulfonamide

C17H10Cl3NO3S — CID 87200093

IUPAC3,5-dichloro-N-(5-chloro-6-formylnaphthalen-2-yl)benzenesulfonamide
SMILESO=Cc1ccc2cc(NS(=O)(=O)c3cc(Cl)cc(Cl)c3)ccc2c1Cl
InChIInChI=1S/C17H10Cl3NO3S/c18-12-6-13(19)8-15(7-12)25(23,24)21-14-3-4-16-10(5-14)1-2-11(9-22)17(16)20/h1-9,21H
InChIKeyMPAJXLNJSUCNHW-UHFFFAOYSA-N
MW414.70 g/mol
LogP5.41
Rot. Bonds4

About 3,5-dichloro-N-(5-chloro-6-formylnaphthalen-2-yl)benzenesulfonamide

3,5-dichloro-N-(5-chloro-6-formylnaphthalen-2-yl)benzenesulfonamide (PubChem CID 87200093) has the molecular formula C17H10Cl3NO3S and a molecular weight of 414.70 g/mol. Its IUPAC name is 3,5-dichloro-N-(5-chloro-6-formylnaphthalen-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name3,5-dichloro-N-(5-chloro-6-formylnaphthalen-2-yl)benzenesulfonamide
PubChem CID87200093
Molecular FormulaC17H10Cl3NO3S
Molecular Weight414.70 g/mol
Exact Mass412.94
IUPAC Name3,5-dichloro-N-(5-chloro-6-formylnaphthalen-2-yl)benzenesulfonamide
SMILESO=Cc1ccc2cc(NS(=O)(=O)c3cc(Cl)cc(Cl)c3)ccc2c1Cl
InChIInChI=1S/C17H10Cl3NO3S/c18-12-6-13(19)8-15(7-12)25(23,24)21-14-3-4-16-10(5-14)1-2-11(9-22)17(16)20/h1-9,21H
InChIKeyMPAJXLNJSUCNHW-UHFFFAOYSA-N
XLogP5.41
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.70
LogP ≤ 55.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

3,5-dichloro-N-(2-formyl-1H-indol-5-yl)benzenesulfonamide
CID 145476758
3,5-dichloro-N-(6-fluoro-3-pyridinyl)benzenesulfonamide
CID 103775753
6-[(3,5-dichlorophenyl)sulfonylamino]-N-(2-oxopropyl)naphthalene-2-carboxamide
CID 58496720
3,5-dichloro-N-(1-pyrrolidin-1-ylindol-6-yl)benzenesulfonamide
CID 68991946
[4-[[[6-[(3,5-dichlorophenyl)sulfonylamino]naphthalene-1-carbonyl]amino]methyl]phenyl]methylcarbamic acid
CID 68972956
3,5-dichloro-N-(3-methyl-1H-indol-5-yl)benzenesulfonamide
CID 59276788
3,5-dichloro-N-[4-(dimethylsulfamoyl)phenyl]benzenesulfonamide
CID 8603698
4-[(3,5-dichlorophenyl)sulfonylamino]-2-hydroxybenzoic acid
CID 45330209
3,5-dichloro-N-[4-[(4-fluoro-3-methylphenyl)sulfamoyl]phenyl]benzenesulfonamide
CID 175722864
3,5-dichloro-N-(4-chloro-3-nitrophenyl)benzenesulfonamide
CID 8523386
4-[[[6-[(3,5-dichlorophenyl)sulfonylamino]naphthalene-1-carbonyl]amino]methyl]benzoic acid
CID 70668420
3,5-dichloro-N-(3,4-diethoxyphenyl)benzenesulfonamide
CID 8851611

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-N-(5-chloro-6-formylnaphthalen-2-yl)benzenesulfonamide?
The IUPAC name of 3,5-dichloro-N-(5-chloro-6-formylnaphthalen-2-yl)benzenesulfonamide (CID 87200093) is 3,5-dichloro-N-(5-chloro-6-formylnaphthalen-2-yl)benzenesulfonamide.
What is the SMILES notation for 3,5-dichloro-N-(5-chloro-6-formylnaphthalen-2-yl)benzenesulfonamide?
The canonical SMILES for 3,5-dichloro-N-(5-chloro-6-formylnaphthalen-2-yl)benzenesulfonamide is O=Cc1ccc2cc(NS(=O)(=O)c3cc(Cl)cc(Cl)c3)ccc2c1Cl.
What is the InChIKey of 3,5-dichloro-N-(5-chloro-6-formylnaphthalen-2-yl)benzenesulfonamide?
The InChIKey is MPAJXLNJSUCNHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10Cl3NO3S/c18-12-6-13(19)8-15(7-12)25(23,24)21-14-3-4-16-10(5-14)1-2-11(9-22)17(16)20/h1-9,21H.
What are the key properties of 3,5-dichloro-N-(5-chloro-6-formylnaphthalen-2-yl)benzenesulfonamide?
3,5-dichloro-N-(5-chloro-6-formylnaphthalen-2-yl)benzenesulfonamide has a molecular weight of 414.70 g/mol, XLogP of 5.41, 4 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-chloro-6-formylnaphthalen-2-yl)benzenesulfonamide is sourced from PubChem (CID 87200093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).