4-chloro-N-[3-[(2-chlorophenyl)sulfamoyl]-4-morpholin-4-ylphenyl]-3-[(2-methoxyphenyl)sulfamoyl]benzamide

C30H28Cl2N4O7S2 — CID 4142014

IUPAC4-chloro-N-[3-[(2-chlorophenyl)sulfamoyl]-4-morpholin-4-ylphenyl]-3-[(2-methoxyphenyl)sulfamoyl]benzamide
SMILESCOc1ccccc1NS(=O)(=O)c1cc(C(=O)Nc2ccc(N3CCOCC3)c(S(=O)(=O)Nc3ccccc3Cl)c2)ccc1Cl
InChIInChI=1S/C30H28Cl2N4O7S2/c1-42-27-9-5-4-8-25(27)35-44(38,39)28-18-20(10-12-23(28)32)30(37)33-21-11-13-26(36-14-16-43-17-15-36)29(19-21)45(40,41)34-24-7-3-2-6-22(24)31/h2-13,18-19,34-35H,14-17H2,1H3,(H,33,37)
InChIKeyWVEVJCOOBQKEKI-UHFFFAOYSA-N
MW691.62 g/mol
LogP5.69
Rot. Bonds10

About 4-chloro-N-[3-[(2-chlorophenyl)sulfamoyl]-4-morpholin-4-ylphenyl]-3-[(2-methoxyphenyl)sulfamoyl]benzamide

4-chloro-N-[3-[(2-chlorophenyl)sulfamoyl]-4-morpholin-4-ylphenyl]-3-[(2-methoxyphenyl)sulfamoyl]benzamide (PubChem CID 4142014) has the molecular formula C30H28Cl2N4O7S2 and a molecular weight of 691.62 g/mol. Its IUPAC name is 4-chloro-N-[3-[(2-chlorophenyl)sulfamoyl]-4-morpholin-4-ylphenyl]-3-[(2-methoxyphenyl)sulfamoyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[3-[(2-chlorophenyl)sulfamoyl]-4-morpholin-4-ylphenyl]-3-[(2-methoxyphenyl)sulfamoyl]benzamide
PubChem CID4142014
Molecular FormulaC30H28Cl2N4O7S2
Molecular Weight691.62 g/mol
Exact Mass690.08
IUPAC Name4-chloro-N-[3-[(2-chlorophenyl)sulfamoyl]-4-morpholin-4-ylphenyl]-3-[(2-methoxyphenyl)sulfamoyl]benzamide
SMILESCOc1ccccc1NS(=O)(=O)c1cc(C(=O)Nc2ccc(N3CCOCC3)c(S(=O)(=O)Nc3ccccc3Cl)c2)ccc1Cl
InChIInChI=1S/C30H28Cl2N4O7S2/c1-42-27-9-5-4-8-25(27)35-44(38,39)28-18-20(10-12-23(28)32)30(37)33-21-11-13-26(36-14-16-43-17-15-36)29(19-21)45(40,41)34-24-7-3-2-6-22(24)31/h2-13,18-19,34-35H,14-17H2,1H3,(H,33,37)
InChIKeyWVEVJCOOBQKEKI-UHFFFAOYSA-N
XLogP5.69
TPSA143.14 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500691.62
LogP ≤ 55.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

2-chloro-4,5-difluoro-N-[3-[(4-methoxyphenyl)sulfamoyl]-4-morpholin-4-ylphenyl]benzamide
CID 3365317
4-chloro-N-[3-[(4-methoxyphenyl)sulfamoyl]-4-morpholin-4-ylphenyl]benzamide
CID 3465983
T5247935
CID 5216904
4-chloro-N-[3-(2-methoxy-5-piperidin-1-ylsulfonylanilino)-3-oxopropyl]benzamide
CID 16277775
2-chloro-N-(2-methoxyphenyl)-5-(4-morpholinylsulfonyl)benzamide
CID 1356335
4-{[(5-chloro-2-methylphenyl)(phenylsulfonyl)amino]methyl}-N-(2-methoxyphenyl)benzamide
CID 1361816
2-chloro-5-[(2-methoxyphenyl)-prop-2-enylsulfamoyl]-N-(4-morpholin-4-ylphenyl)benzamide
CID 2395136
4-chloro-N-(2-methoxyphenyl)-3-(piperidin-1-ylsulfonyl)benzamide
CID 2704849
N-[3-[(2-methoxyphenyl)sulfamoyl]-4-morpholin-4-ylphenyl]-2-oxo-1H-quinoline-4-carboxamide
CID 3985673
[2-(2-Methoxy-5-methylanilino)-2-oxo-1-phenylethyl] 4-chloro-3-[methyl(phenyl)sulfamoyl]benzoate
CID 4002206
N-[4-(diethylamino)-3-[(2-methoxyphenyl)sulfamoyl]phenyl]benzamide
CID 4361244
3-chloro-N-[2-methoxy-5-(4-morpholinylsulfonyl)phenyl]benzamide
CID 4826772

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[3-[(2-chlorophenyl)sulfamoyl]-4-morpholin-4-ylphenyl]-3-[(2-methoxyphenyl)sulfamoyl]benzamide?
The IUPAC name of 4-chloro-N-[3-[(2-chlorophenyl)sulfamoyl]-4-morpholin-4-ylphenyl]-3-[(2-methoxyphenyl)sulfamoyl]benzamide (CID 4142014) is 4-chloro-N-[3-[(2-chlorophenyl)sulfamoyl]-4-morpholin-4-ylphenyl]-3-[(2-methoxyphenyl)sulfamoyl]benzamide.
What is the SMILES notation for 4-chloro-N-[3-[(2-chlorophenyl)sulfamoyl]-4-morpholin-4-ylphenyl]-3-[(2-methoxyphenyl)sulfamoyl]benzamide?
The canonical SMILES for 4-chloro-N-[3-[(2-chlorophenyl)sulfamoyl]-4-morpholin-4-ylphenyl]-3-[(2-methoxyphenyl)sulfamoyl]benzamide is COc1ccccc1NS(=O)(=O)c1cc(C(=O)Nc2ccc(N3CCOCC3)c(S(=O)(=O)Nc3ccccc3Cl)c2)ccc1Cl.
What is the InChIKey of 4-chloro-N-[3-[(2-chlorophenyl)sulfamoyl]-4-morpholin-4-ylphenyl]-3-[(2-methoxyphenyl)sulfamoyl]benzamide?
The InChIKey is WVEVJCOOBQKEKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H28Cl2N4O7S2/c1-42-27-9-5-4-8-25(27)35-44(38,39)28-18-20(10-12-23(28)32)30(37)33-21-11-13-26(36-14-16-43-17-15-36)29(19-21)45(40,41)34-24-7-3-2-6-22(24)31/h2-13,18-19,34-35H,14-17H2,1H3,(H,33,37).
What are the key properties of 4-chloro-N-[3-[(2-chlorophenyl)sulfamoyl]-4-morpholin-4-ylphenyl]-3-[(2-methoxyphenyl)sulfamoyl]benzamide?
4-chloro-N-[3-[(2-chlorophenyl)sulfamoyl]-4-morpholin-4-ylphenyl]-3-[(2-methoxyphenyl)sulfamoyl]benzamide has a molecular weight of 691.62 g/mol, XLogP of 5.69, 10 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[3-[(2-chlorophenyl)sulfamoyl]-4-morpholin-4-ylphenyl]-3-[(2-methoxyphenyl)sulfamoyl]benzamide is sourced from PubChem (CID 4142014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).