4-chloro-N-[4-[(4-chlorobenzoyl)-naphthalen-2-ylsulfonylamino]phenyl]-N-naphthalen-2-ylsulfonylbenzamide

C40H26Cl2N2O6S2 — CID 3436129

IUPAC4-chloro-N-[4-[(4-chlorobenzoyl)-naphthalen-2-ylsulfonylamino]phenyl]-N-naphthalen-2-ylsulfonylbenzamide
SMILESO=C(c1ccc(Cl)cc1)N(c1ccc(N(C(=O)c2ccc(Cl)cc2)S(=O)(=O)c2ccc3ccccc3c2)cc1)S(=O)(=O)c1ccc2ccccc2c1
InChIInChI=1S/C40H26Cl2N2O6S2/c41-33-15-9-29(10-16-33)39(45)43(51(47,48)37-23-13-27-5-1-3-7-31(27)25-37)35-19-21-36(22-20-35)44(40(46)30-11-17-34(42)18-12-30)52(49,50)38-24-14-28-6-2-4-8-32(28)26-38/h1-26H
InChIKeyKKRBNPGWWWLMRV-UHFFFAOYSA-N
MW765.70 g/mol
LogP9.37
Rot. Bonds8

About 4-chloro-N-[4-[(4-chlorobenzoyl)-naphthalen-2-ylsulfonylamino]phenyl]-N-naphthalen-2-ylsulfonylbenzamide

4-chloro-N-[4-[(4-chlorobenzoyl)-naphthalen-2-ylsulfonylamino]phenyl]-N-naphthalen-2-ylsulfonylbenzamide (PubChem CID 3436129) has the molecular formula C40H26Cl2N2O6S2 and a molecular weight of 765.70 g/mol. Its IUPAC name is 4-chloro-N-[4-[(4-chlorobenzoyl)-naphthalen-2-ylsulfonylamino]phenyl]-N-naphthalen-2-ylsulfonylbenzamide.

Molecular Properties

Compound Name4-chloro-N-[4-[(4-chlorobenzoyl)-naphthalen-2-ylsulfonylamino]phenyl]-N-naphthalen-2-ylsulfonylbenzamide
PubChem CID3436129
Molecular FormulaC40H26Cl2N2O6S2
Molecular Weight765.70 g/mol
Exact Mass764.06
IUPAC Name4-chloro-N-[4-[(4-chlorobenzoyl)-naphthalen-2-ylsulfonylamino]phenyl]-N-naphthalen-2-ylsulfonylbenzamide
SMILESO=C(c1ccc(Cl)cc1)N(c1ccc(N(C(=O)c2ccc(Cl)cc2)S(=O)(=O)c2ccc3ccccc3c2)cc1)S(=O)(=O)c1ccc2ccccc2c1
InChIInChI=1S/C40H26Cl2N2O6S2/c41-33-15-9-29(10-16-33)39(45)43(51(47,48)37-23-13-27-5-1-3-7-31(27)25-37)35-19-21-36(22-20-35)44(40(46)30-11-17-34(42)18-12-30)52(49,50)38-24-14-28-6-2-4-8-32(28)26-38/h1-26H
InChIKeyKKRBNPGWWWLMRV-UHFFFAOYSA-N
XLogP9.37
TPSA108.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500765.70
LogP ≤ 59.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-methyl-N-[4-[(4-methylbenzoyl)-naphthalen-2-ylsulfonylamino]phenyl]-N-naphthalen-2-ylsulfonylbenzamide
CID 5128744
N-naphthalen-2-ylsulfonyl-N-(2,3,4,5,6-pentafluorophenyl)benzamide
CID 101011250
N-(4-chlorophenyl)sulfonyl-3-methoxy-N-(4-methoxyphenyl)benzamide
CID 19211456
N-(4-chlorophenyl)sulfonyl-N-(4-methoxyphenyl)-4-nitrobenzamide
CID 2907624
(2S)-2-(4-chloro-N-naphthalen-2-ylsulfonylanilino)-N-hydroxypropanamide
CID 72945426
2-(4-chlorophenyl)sulfonylnaphthalene
CID 2506576
methyl 3-[4-[benzoyl-(4-chlorophenyl)sulfamoyl]phenyl]propanoate
CID 67440953
2-[(4-chlorophenyl)sulfonyl-naphthalen-2-ylamino]propanoic acid
CID 50894055
N-(4-chlorophenyl)sulfonyl-4-methoxy-N-(2-oxo-1,3-benzoxathiol-5-yl)benzamide
CID 5051207
N-(4-chloro-2-methylphenyl)-N-methylnaphthalene-2-sulfonamide
CID 100532875
N-(benzenesulfonyl)-N-(4-methoxyphenyl)-3,5-dinitrobenzamide
CID 19210794
N-(3-acetyl-2-methyl-1-benzofuran-5-yl)-N-(benzenesulfonyl)-4-chlorobenzamide
CID 6618120

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[4-[(4-chlorobenzoyl)-naphthalen-2-ylsulfonylamino]phenyl]-N-naphthalen-2-ylsulfonylbenzamide?
The IUPAC name of 4-chloro-N-[4-[(4-chlorobenzoyl)-naphthalen-2-ylsulfonylamino]phenyl]-N-naphthalen-2-ylsulfonylbenzamide (CID 3436129) is 4-chloro-N-[4-[(4-chlorobenzoyl)-naphthalen-2-ylsulfonylamino]phenyl]-N-naphthalen-2-ylsulfonylbenzamide.
What is the SMILES notation for 4-chloro-N-[4-[(4-chlorobenzoyl)-naphthalen-2-ylsulfonylamino]phenyl]-N-naphthalen-2-ylsulfonylbenzamide?
The canonical SMILES for 4-chloro-N-[4-[(4-chlorobenzoyl)-naphthalen-2-ylsulfonylamino]phenyl]-N-naphthalen-2-ylsulfonylbenzamide is O=C(c1ccc(Cl)cc1)N(c1ccc(N(C(=O)c2ccc(Cl)cc2)S(=O)(=O)c2ccc3ccccc3c2)cc1)S(=O)(=O)c1ccc2ccccc2c1.
What is the InChIKey of 4-chloro-N-[4-[(4-chlorobenzoyl)-naphthalen-2-ylsulfonylamino]phenyl]-N-naphthalen-2-ylsulfonylbenzamide?
The InChIKey is KKRBNPGWWWLMRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H26Cl2N2O6S2/c41-33-15-9-29(10-16-33)39(45)43(51(47,48)37-23-13-27-5-1-3-7-31(27)25-37)35-19-21-36(22-20-35)44(40(46)30-11-17-34(42)18-12-30)52(49,50)38-24-14-28-6-2-4-8-32(28)26-38/h1-26H.
What are the key properties of 4-chloro-N-[4-[(4-chlorobenzoyl)-naphthalen-2-ylsulfonylamino]phenyl]-N-naphthalen-2-ylsulfonylbenzamide?
4-chloro-N-[4-[(4-chlorobenzoyl)-naphthalen-2-ylsulfonylamino]phenyl]-N-naphthalen-2-ylsulfonylbenzamide has a molecular weight of 765.70 g/mol, XLogP of 9.37, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[4-[(4-chlorobenzoyl)-naphthalen-2-ylsulfonylamino]phenyl]-N-naphthalen-2-ylsulfonylbenzamide is sourced from PubChem (CID 3436129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).