N-benzyl-1-[(3,5-dichlorophenyl)sulfonylamino]naphthalene-2-carboxamide

C24H18Cl2N2O3S — CID 59534043

IUPACN-benzyl-1-[(3,5-dichlorophenyl)sulfonylamino]naphthalene-2-carboxamide
SMILESO=C(NCc1ccccc1)c1ccc2ccccc2c1NS(=O)(=O)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C24H18Cl2N2O3S/c25-18-12-19(26)14-20(13-18)32(30,31)28-23-21-9-5-4-8-17(21)10-11-22(23)24(29)27-15-16-6-2-1-3-7-16/h1-14,28H,15H2,(H,27,29)
InChIKeyDSWUVURBSXGICA-UHFFFAOYSA-N
MW485.39 g/mol
LogP5.88
Rot. Bonds6

About N-benzyl-1-[(3,5-dichlorophenyl)sulfonylamino]naphthalene-2-carboxamide

N-benzyl-1-[(3,5-dichlorophenyl)sulfonylamino]naphthalene-2-carboxamide (PubChem CID 59534043) has the molecular formula C24H18Cl2N2O3S and a molecular weight of 485.39 g/mol. Its IUPAC name is N-benzyl-1-[(3,5-dichlorophenyl)sulfonylamino]naphthalene-2-carboxamide.

Molecular Properties

Compound NameN-benzyl-1-[(3,5-dichlorophenyl)sulfonylamino]naphthalene-2-carboxamide
PubChem CID59534043
Molecular FormulaC24H18Cl2N2O3S
Molecular Weight485.39 g/mol
Exact Mass484.04
IUPAC NameN-benzyl-1-[(3,5-dichlorophenyl)sulfonylamino]naphthalene-2-carboxamide
SMILESO=C(NCc1ccccc1)c1ccc2ccccc2c1NS(=O)(=O)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C24H18Cl2N2O3S/c25-18-12-19(26)14-20(13-18)32(30,31)28-23-21-9-5-4-8-17(21)10-11-22(23)24(29)27-15-16-6-2-1-3-7-16/h1-14,28H,15H2,(H,27,29)
InChIKeyDSWUVURBSXGICA-UHFFFAOYSA-N
XLogP5.88
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.39
LogP ≤ 55.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[4-[[[6-[(3,5-dichlorophenyl)sulfonylamino]naphthalene-1-carbonyl]amino]methyl]phenyl]methylcarbamic acid
CID 68972956
4-[[[6-[(3,5-dichlorophenyl)sulfonylamino]naphthalene-1-carbonyl]amino]methyl]benzoic acid
CID 70668420
5-[(3,5-dichlorophenyl)sulfonylamino]-N-[(3-methoxyphenyl)methyl]naphthalene-1-carboxamide
CID 66908825
2-(benzenesulfonamido)-N-benzylbenzamide
CID 1320833
N-benzyl-2-chloro-5-(diethylsulfamoyl)benzamide
CID 1121797
N-benzyl-5-[(3,5-dichlorophenyl)sulfonyl-(diethoxyphosphorylmethyl)amino]naphthalene-1-carboxamide
CID 59534066
4-(benzenesulfonamido)-2-chloro-N-[(4-fluorophenyl)methyl]benzamide
CID 99956396
tert-butyl N-[[4-[[[6-[(3-chloro-5-iodophenyl)sulfonylamino]naphthalene-1-carbonyl]amino]methyl]phenyl]methyl]carbamate
CID 70962391
N-benzyl-3-methyl-4-phenylnaphthalene-2-carboxamide
CID 11783108
N-[2-(benzylcarbamoyl)phenyl]-2-chloro-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 46778797
2-[(3,5-dichlorophenyl)sulfonyl-[5-[[3-(dimethylcarbamoyl)phenyl]methylcarbamoyl]naphthalen-2-yl]amino]acetic acid
CID 66992069
tert-butyl 2-[[6-(benzylcarbamoyl)naphthalen-2-yl]-(3,5-dichlorophenyl)sulfonylamino]acetate
CID 58497002

Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-[(3,5-dichlorophenyl)sulfonylamino]naphthalene-2-carboxamide?
The IUPAC name of N-benzyl-1-[(3,5-dichlorophenyl)sulfonylamino]naphthalene-2-carboxamide (CID 59534043) is N-benzyl-1-[(3,5-dichlorophenyl)sulfonylamino]naphthalene-2-carboxamide.
What is the SMILES notation for N-benzyl-1-[(3,5-dichlorophenyl)sulfonylamino]naphthalene-2-carboxamide?
The canonical SMILES for N-benzyl-1-[(3,5-dichlorophenyl)sulfonylamino]naphthalene-2-carboxamide is O=C(NCc1ccccc1)c1ccc2ccccc2c1NS(=O)(=O)c1cc(Cl)cc(Cl)c1.
What is the InChIKey of N-benzyl-1-[(3,5-dichlorophenyl)sulfonylamino]naphthalene-2-carboxamide?
The InChIKey is DSWUVURBSXGICA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18Cl2N2O3S/c25-18-12-19(26)14-20(13-18)32(30,31)28-23-21-9-5-4-8-17(21)10-11-22(23)24(29)27-15-16-6-2-1-3-7-16/h1-14,28H,15H2,(H,27,29).
What are the key properties of N-benzyl-1-[(3,5-dichlorophenyl)sulfonylamino]naphthalene-2-carboxamide?
N-benzyl-1-[(3,5-dichlorophenyl)sulfonylamino]naphthalene-2-carboxamide has a molecular weight of 485.39 g/mol, XLogP of 5.88, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-[(3,5-dichlorophenyl)sulfonylamino]naphthalene-2-carboxamide is sourced from PubChem (CID 59534043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).