5-chloro-N-[3-chloro-4-(1-chloronaphthalen-2-yl)oxyphenyl]-2-[(4-methylphenyl)sulfonylamino]benzamide

C30H21Cl3N2O4S — CID 3894691

IUPAC5-chloro-N-[3-chloro-4-(1-chloronaphthalen-2-yl)oxyphenyl]-2-[(4-methylphenyl)sulfonylamino]benzamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2C(=O)Nc2ccc(Oc3ccc4ccccc4c3Cl)c(Cl)c2)cc1
InChIInChI=1S/C30H21Cl3N2O4S/c1-18-6-11-22(12-7-18)40(37,38)35-26-13-9-20(31)16-24(26)30(36)34-21-10-15-27(25(32)17-21)39-28-14-8-19-4-2-3-5-23(19)29(28)33/h2-17,35H,1H3,(H,34,36)
InChIKeyCTBRGHGEHWCRIC-UHFFFAOYSA-N
MW611.93 g/mol
LogP8.95
Rot. Bonds7

About 5-chloro-N-[3-chloro-4-(1-chloronaphthalen-2-yl)oxyphenyl]-2-[(4-methylphenyl)sulfonylamino]benzamide

5-chloro-N-[3-chloro-4-(1-chloronaphthalen-2-yl)oxyphenyl]-2-[(4-methylphenyl)sulfonylamino]benzamide (PubChem CID 3894691) has the molecular formula C30H21Cl3N2O4S and a molecular weight of 611.93 g/mol. Its IUPAC name is 5-chloro-N-[3-chloro-4-(1-chloronaphthalen-2-yl)oxyphenyl]-2-[(4-methylphenyl)sulfonylamino]benzamide.

Molecular Properties

Compound Name5-chloro-N-[3-chloro-4-(1-chloronaphthalen-2-yl)oxyphenyl]-2-[(4-methylphenyl)sulfonylamino]benzamide
PubChem CID3894691
Molecular FormulaC30H21Cl3N2O4S
Molecular Weight611.93 g/mol
Exact Mass610.03
IUPAC Name5-chloro-N-[3-chloro-4-(1-chloronaphthalen-2-yl)oxyphenyl]-2-[(4-methylphenyl)sulfonylamino]benzamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2C(=O)Nc2ccc(Oc3ccc4ccccc4c3Cl)c(Cl)c2)cc1
InChIInChI=1S/C30H21Cl3N2O4S/c1-18-6-11-22(12-7-18)40(37,38)35-26-13-9-20(31)16-24(26)30(36)34-21-10-15-27(25(32)17-21)39-28-14-8-19-4-2-3-5-23(19)29(28)33/h2-17,35H,1H3,(H,34,36)
InChIKeyCTBRGHGEHWCRIC-UHFFFAOYSA-N
XLogP8.95
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500611.93
LogP ≤ 58.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-N-[4-(4-chlorophenoxy)phenyl]-2-(naphthalen-2-ylsulfonylamino)benzamide
CID 139818443
2-chloro-N-[4-[(2,4-dichlorophenyl)sulfamoyl]phenyl]-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 43875630
ethyl 4-[[5-chloro-2-[(4-chlorophenyl)sulfonylamino]benzoyl]amino]benzoate
CID 15872311
ethyl 3-[[5-chloro-2-[(4-chlorophenyl)sulfonylamino]benzoyl]amino]benzoate
CID 22646291
5-(2,1,3-benzothiadiazol-4-ylsulfonylamino)-2-chloro-N-[3-chloro-4-(1-chloronaphthalen-2-yl)oxyphenyl]benzamide
CID 3373249
ethyl 5-chloro-2-[(4-methylphenyl)sulfonylamino]benzoate
CID 139957908
2,4-dichloro-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]benzamide
CID 1053036
2-chloro-N-[4-[(5-chloro-2-methylphenyl)sulfamoyl]phenyl]-5-[(4-methylphenyl)sulfonylamino]benzamide
CID 43909818
2-chloro-N-[4-[(2-methoxy-5-methylphenyl)sulfamoyl]phenyl]-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 99941336
2-chloro-N-(3,4-dichlorophenyl)-5-[(4-methylphenyl)sulfonylamino]benzamide
CID 46778231
2-[(4-tert-butylphenyl)sulfonylamino]-5-chloro-N-[4-(methylsulfamoyl)phenyl]benzamide
CID 177311382
2-chloro-N-[4-[(2,3-dichlorophenyl)sulfamoyl]phenyl]-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 43915574

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[3-chloro-4-(1-chloronaphthalen-2-yl)oxyphenyl]-2-[(4-methylphenyl)sulfonylamino]benzamide?
The IUPAC name of 5-chloro-N-[3-chloro-4-(1-chloronaphthalen-2-yl)oxyphenyl]-2-[(4-methylphenyl)sulfonylamino]benzamide (CID 3894691) is 5-chloro-N-[3-chloro-4-(1-chloronaphthalen-2-yl)oxyphenyl]-2-[(4-methylphenyl)sulfonylamino]benzamide.
What is the SMILES notation for 5-chloro-N-[3-chloro-4-(1-chloronaphthalen-2-yl)oxyphenyl]-2-[(4-methylphenyl)sulfonylamino]benzamide?
The canonical SMILES for 5-chloro-N-[3-chloro-4-(1-chloronaphthalen-2-yl)oxyphenyl]-2-[(4-methylphenyl)sulfonylamino]benzamide is Cc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2C(=O)Nc2ccc(Oc3ccc4ccccc4c3Cl)c(Cl)c2)cc1.
What is the InChIKey of 5-chloro-N-[3-chloro-4-(1-chloronaphthalen-2-yl)oxyphenyl]-2-[(4-methylphenyl)sulfonylamino]benzamide?
The InChIKey is CTBRGHGEHWCRIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H21Cl3N2O4S/c1-18-6-11-22(12-7-18)40(37,38)35-26-13-9-20(31)16-24(26)30(36)34-21-10-15-27(25(32)17-21)39-28-14-8-19-4-2-3-5-23(19)29(28)33/h2-17,35H,1H3,(H,34,36).
What are the key properties of 5-chloro-N-[3-chloro-4-(1-chloronaphthalen-2-yl)oxyphenyl]-2-[(4-methylphenyl)sulfonylamino]benzamide?
5-chloro-N-[3-chloro-4-(1-chloronaphthalen-2-yl)oxyphenyl]-2-[(4-methylphenyl)sulfonylamino]benzamide has a molecular weight of 611.93 g/mol, XLogP of 8.95, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[3-chloro-4-(1-chloronaphthalen-2-yl)oxyphenyl]-2-[(4-methylphenyl)sulfonylamino]benzamide is sourced from PubChem (CID 3894691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).