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

C29H26Cl2N4O6S2 — CID 4206577

IUPACN-[3-[(2-chlorophenyl)sulfamoyl]-4-morpholin-4-ylphenyl]-2-[(4-chlorophenyl)sulfonylamino]benzamide
SMILESO=C(Nc1ccc(N2CCOCC2)c(S(=O)(=O)Nc2ccccc2Cl)c1)c1ccccc1NS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C29H26Cl2N4O6S2/c30-20-9-12-22(13-10-20)42(37,38)33-25-7-3-1-5-23(25)29(36)32-21-11-14-27(35-15-17-41-18-16-35)28(19-21)43(39,40)34-26-8-4-2-6-24(26)31/h1-14,19,33-34H,15-18H2,(H,32,36)
InChIKeyWBVQKIGIOGVRQC-UHFFFAOYSA-N
MW661.59 g/mol
LogP5.68
Rot. Bonds9

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

N-[3-[(2-chlorophenyl)sulfamoyl]-4-morpholin-4-ylphenyl]-2-[(4-chlorophenyl)sulfonylamino]benzamide (PubChem CID 4206577) has the molecular formula C29H26Cl2N4O6S2 and a molecular weight of 661.59 g/mol. Its IUPAC name is N-[3-[(2-chlorophenyl)sulfamoyl]-4-morpholin-4-ylphenyl]-2-[(4-chlorophenyl)sulfonylamino]benzamide.

Molecular Properties

Compound NameN-[3-[(2-chlorophenyl)sulfamoyl]-4-morpholin-4-ylphenyl]-2-[(4-chlorophenyl)sulfonylamino]benzamide
PubChem CID4206577
Molecular FormulaC29H26Cl2N4O6S2
Molecular Weight661.59 g/mol
Exact Mass660.07
IUPAC NameN-[3-[(2-chlorophenyl)sulfamoyl]-4-morpholin-4-ylphenyl]-2-[(4-chlorophenyl)sulfonylamino]benzamide
SMILESO=C(Nc1ccc(N2CCOCC2)c(S(=O)(=O)Nc2ccccc2Cl)c1)c1ccccc1NS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C29H26Cl2N4O6S2/c30-20-9-12-22(13-10-20)42(37,38)33-25-7-3-1-5-23(25)29(36)32-21-11-14-27(35-15-17-41-18-16-35)28(19-21)43(39,40)34-26-8-4-2-6-24(26)31/h1-14,19,33-34H,15-18H2,(H,32,36)
InChIKeyWBVQKIGIOGVRQC-UHFFFAOYSA-N
XLogP5.68
TPSA133.91 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500661.59
LogP ≤ 55.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-[3-[(2-chlorophenyl)sulfamoyl]-4-morpholin-4-ylphenyl]furan-2-carboxamide
CID 42990181
2-(4-chlorophenyl)-N-[3-[(2-chlorophenyl)sulfamoyl]-4-pyrrolidin-1-ylphenyl]quinoline-4-carboxamide
CID 3270456
N-[3-[(2-methoxyphenyl)sulfamoyl]-4-morpholin-4-ylphenyl]-2-nitrobenzamide
CID 4560302
2-[(4-chlorophenyl)sulfonylamino]-5-morpholin-4-yl-N-(4-morpholin-4-ylsulfonylphenyl)benzamide
CID 18328751
N-[[3-[(2,5-dichlorophenyl)sulfamoyl]-4-morpholin-4-ylphenyl]carbamothioyl]cyclopentanecarboxamide
CID 4162559
N-(3-chlorophenyl)-2-[(4-chlorophenyl)sulfonylamino]benzamide
CID 44898444
2-[(4-chlorophenyl)sulfonylamino]-N-(6-pyrrolidin-1-yl-3-pyridinyl)benzamide
CID 55519672
2-(benzenesulfonamido)-N-(4-chlorophenyl)benzamide
CID 1243115
2-chloro-5-[[2-[(4-chlorophenyl)carbamoyl]phenyl]sulfamoyl]benzoic acid
CID 10205135
2-(4-chlorophenyl)-N-[3-[(4-chlorophenyl)sulfamoyl]-4-morpholin-4-ylphenyl]acetamide
CID 4831172
N-[4-[(2-chlorophenyl)sulfamoyl]phenyl]-4-morpholin-4-yl-3,5-dinitrobenzamide
CID 25042551
2-chloro-N-(4-morpholin-4-yl-3-nitrophenyl)benzamide
CID 17127061

Frequently Asked Questions

What is the IUPAC name of N-[3-[(2-chlorophenyl)sulfamoyl]-4-morpholin-4-ylphenyl]-2-[(4-chlorophenyl)sulfonylamino]benzamide?
The IUPAC name of N-[3-[(2-chlorophenyl)sulfamoyl]-4-morpholin-4-ylphenyl]-2-[(4-chlorophenyl)sulfonylamino]benzamide (CID 4206577) is N-[3-[(2-chlorophenyl)sulfamoyl]-4-morpholin-4-ylphenyl]-2-[(4-chlorophenyl)sulfonylamino]benzamide.
What is the SMILES notation for N-[3-[(2-chlorophenyl)sulfamoyl]-4-morpholin-4-ylphenyl]-2-[(4-chlorophenyl)sulfonylamino]benzamide?
The canonical SMILES for N-[3-[(2-chlorophenyl)sulfamoyl]-4-morpholin-4-ylphenyl]-2-[(4-chlorophenyl)sulfonylamino]benzamide is O=C(Nc1ccc(N2CCOCC2)c(S(=O)(=O)Nc2ccccc2Cl)c1)c1ccccc1NS(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of N-[3-[(2-chlorophenyl)sulfamoyl]-4-morpholin-4-ylphenyl]-2-[(4-chlorophenyl)sulfonylamino]benzamide?
The InChIKey is WBVQKIGIOGVRQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26Cl2N4O6S2/c30-20-9-12-22(13-10-20)42(37,38)33-25-7-3-1-5-23(25)29(36)32-21-11-14-27(35-15-17-41-18-16-35)28(19-21)43(39,40)34-26-8-4-2-6-24(26)31/h1-14,19,33-34H,15-18H2,(H,32,36).
What are the key properties of N-[3-[(2-chlorophenyl)sulfamoyl]-4-morpholin-4-ylphenyl]-2-[(4-chlorophenyl)sulfonylamino]benzamide?
N-[3-[(2-chlorophenyl)sulfamoyl]-4-morpholin-4-ylphenyl]-2-[(4-chlorophenyl)sulfonylamino]benzamide has a molecular weight of 661.59 g/mol, XLogP of 5.68, 9 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(2-chlorophenyl)sulfamoyl]-4-morpholin-4-ylphenyl]-2-[(4-chlorophenyl)sulfonylamino]benzamide is sourced from PubChem (CID 4206577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).