2-chloro-N-[[4-[(2,4-dichlorophenyl)sulfonylamino]naphthalen-1-yl]methyl]-4-propan-2-yloxybenzamide

C27H23Cl3N2O4S — CID 25051853

IUPAC2-chloro-N-[[4-[(2,4-dichlorophenyl)sulfonylamino]naphthalen-1-yl]methyl]-4-propan-2-yloxybenzamide
SMILESCC(C)Oc1ccc(C(=O)NCc2ccc(NS(=O)(=O)c3ccc(Cl)cc3Cl)c3ccccc23)c(Cl)c1
InChIInChI=1S/C27H23Cl3N2O4S/c1-16(2)36-19-9-10-22(23(29)14-19)27(33)31-15-17-7-11-25(21-6-4-3-5-20(17)21)32-37(34,35)26-12-8-18(28)13-24(26)30/h3-14,16,32H,15H2,1-2H3,(H,31,33)
InChIKeyMZJFSJWTQNVZGS-UHFFFAOYSA-N
MW577.92 g/mol
LogP7.32
Rot. Bonds8

About 2-chloro-N-[[4-[(2,4-dichlorophenyl)sulfonylamino]naphthalen-1-yl]methyl]-4-propan-2-yloxybenzamide

2-chloro-N-[[4-[(2,4-dichlorophenyl)sulfonylamino]naphthalen-1-yl]methyl]-4-propan-2-yloxybenzamide (PubChem CID 25051853) has the molecular formula C27H23Cl3N2O4S and a molecular weight of 577.92 g/mol. Its IUPAC name is 2-chloro-N-[[4-[(2,4-dichlorophenyl)sulfonylamino]naphthalen-1-yl]methyl]-4-propan-2-yloxybenzamide.

Molecular Properties

Compound Name2-chloro-N-[[4-[(2,4-dichlorophenyl)sulfonylamino]naphthalen-1-yl]methyl]-4-propan-2-yloxybenzamide
PubChem CID25051853
Molecular FormulaC27H23Cl3N2O4S
Molecular Weight577.92 g/mol
Exact Mass576.04
IUPAC Name2-chloro-N-[[4-[(2,4-dichlorophenyl)sulfonylamino]naphthalen-1-yl]methyl]-4-propan-2-yloxybenzamide
SMILESCC(C)Oc1ccc(C(=O)NCc2ccc(NS(=O)(=O)c3ccc(Cl)cc3Cl)c3ccccc23)c(Cl)c1
InChIInChI=1S/C27H23Cl3N2O4S/c1-16(2)36-19-9-10-22(23(29)14-19)27(33)31-15-17-7-11-25(21-6-4-3-5-20(17)21)32-37(34,35)26-12-8-18(28)13-24(26)30/h3-14,16,32H,15H2,1-2H3,(H,31,33)
InChIKeyMZJFSJWTQNVZGS-UHFFFAOYSA-N
XLogP7.32
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500577.92
LogP ≤ 57.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2,4-dichloro-N-naphthalen-1-ylbenzenesulfonamide
CID 70133318
N-[(2,4-dichlorophenyl)methyl]-2-(methanesulfonamido)benzamide
CID 31321210
2,4-dichloro-N-[(4-methoxyphenyl)methyl]benzamide
CID 779696
2-chloro-N-(3-methylbutyl)-4-propan-2-yloxybenzamide
CID 142077202
2,4-dichloro-N-[2-[(2,4-dichlorophenyl)sulfonylamino]phenyl]benzenesulfonamide
CID 70137943
2,4-dichloro-N-(3-propan-2-yloxyphenyl)benzamide
CID 17154669
2,4-dichloro-N'-(4-propan-2-yloxybenzoyl)benzohydrazide
CID 4952081
5-[(5-chloro-3-pyridinyl)oxy]-2-[(2,4-dichlorophenyl)sulfonylamino]-N-ethylbenzamide
CID 59066721
2-[[(2,4-dichlorobenzoyl)amino]methyl]-4,5-dimethoxybenzenesulfonyl chloride
CID 46741538
4-chloro-3-[(2,4-dimethylphenyl)sulfamoyl]-N-[(4-propan-2-yloxyphenyl)methyl]benzamide
CID 92682709
N-[(2,4-dichlorophenyl)methyl]-2-(N-methylsulfonyl-4-propan-2-yloxyanilino)acetamide
CID 30263695
4-chloro-N-[(2,4-dichlorophenyl)methyl]-3-[(2-methylphenyl)sulfamoyl]benzamide
CID 3578493

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[[4-[(2,4-dichlorophenyl)sulfonylamino]naphthalen-1-yl]methyl]-4-propan-2-yloxybenzamide?
The IUPAC name of 2-chloro-N-[[4-[(2,4-dichlorophenyl)sulfonylamino]naphthalen-1-yl]methyl]-4-propan-2-yloxybenzamide (CID 25051853) is 2-chloro-N-[[4-[(2,4-dichlorophenyl)sulfonylamino]naphthalen-1-yl]methyl]-4-propan-2-yloxybenzamide.
What is the SMILES notation for 2-chloro-N-[[4-[(2,4-dichlorophenyl)sulfonylamino]naphthalen-1-yl]methyl]-4-propan-2-yloxybenzamide?
The canonical SMILES for 2-chloro-N-[[4-[(2,4-dichlorophenyl)sulfonylamino]naphthalen-1-yl]methyl]-4-propan-2-yloxybenzamide is CC(C)Oc1ccc(C(=O)NCc2ccc(NS(=O)(=O)c3ccc(Cl)cc3Cl)c3ccccc23)c(Cl)c1.
What is the InChIKey of 2-chloro-N-[[4-[(2,4-dichlorophenyl)sulfonylamino]naphthalen-1-yl]methyl]-4-propan-2-yloxybenzamide?
The InChIKey is MZJFSJWTQNVZGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23Cl3N2O4S/c1-16(2)36-19-9-10-22(23(29)14-19)27(33)31-15-17-7-11-25(21-6-4-3-5-20(17)21)32-37(34,35)26-12-8-18(28)13-24(26)30/h3-14,16,32H,15H2,1-2H3,(H,31,33).
What are the key properties of 2-chloro-N-[[4-[(2,4-dichlorophenyl)sulfonylamino]naphthalen-1-yl]methyl]-4-propan-2-yloxybenzamide?
2-chloro-N-[[4-[(2,4-dichlorophenyl)sulfonylamino]naphthalen-1-yl]methyl]-4-propan-2-yloxybenzamide has a molecular weight of 577.92 g/mol, XLogP of 7.32, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[[4-[(2,4-dichlorophenyl)sulfonylamino]naphthalen-1-yl]methyl]-4-propan-2-yloxybenzamide is sourced from PubChem (CID 25051853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).