4-chloro-3-[(2-chlorophenyl)sulfamoyl]-N-[5-morpholin-4-ylsulfonyl-2-(1,2,4-triazol-1-yl)phenyl]benzamide

C25H22Cl2N6O6S2 — CID 4658421

IUPAC4-chloro-3-[(2-chlorophenyl)sulfamoyl]-N-[5-morpholin-4-ylsulfonyl-2-(1,2,4-triazol-1-yl)phenyl]benzamide
SMILESO=C(Nc1cc(S(=O)(=O)N2CCOCC2)ccc1-n1cncn1)c1ccc(Cl)c(S(=O)(=O)Nc2ccccc2Cl)c1
InChIInChI=1S/C25H22Cl2N6O6S2/c26-19-3-1-2-4-21(19)31-40(35,36)24-13-17(5-7-20(24)27)25(34)30-22-14-18(6-8-23(22)33-16-28-15-29-33)41(37,38)32-9-11-39-12-10-32/h1-8,13-16,31H,9-12H2,(H,30,34)
InChIKeyWJTDHBJUKZTDQW-UHFFFAOYSA-N
MW637.53 g/mol
LogP3.65
Rot. Bonds8

About 4-chloro-3-[(2-chlorophenyl)sulfamoyl]-N-[5-morpholin-4-ylsulfonyl-2-(1,2,4-triazol-1-yl)phenyl]benzamide

4-chloro-3-[(2-chlorophenyl)sulfamoyl]-N-[5-morpholin-4-ylsulfonyl-2-(1,2,4-triazol-1-yl)phenyl]benzamide (PubChem CID 4658421) has the molecular formula C25H22Cl2N6O6S2 and a molecular weight of 637.53 g/mol. Its IUPAC name is 4-chloro-3-[(2-chlorophenyl)sulfamoyl]-N-[5-morpholin-4-ylsulfonyl-2-(1,2,4-triazol-1-yl)phenyl]benzamide.

Molecular Properties

Compound Name4-chloro-3-[(2-chlorophenyl)sulfamoyl]-N-[5-morpholin-4-ylsulfonyl-2-(1,2,4-triazol-1-yl)phenyl]benzamide
PubChem CID4658421
Molecular FormulaC25H22Cl2N6O6S2
Molecular Weight637.53 g/mol
Exact Mass636.04
IUPAC Name4-chloro-3-[(2-chlorophenyl)sulfamoyl]-N-[5-morpholin-4-ylsulfonyl-2-(1,2,4-triazol-1-yl)phenyl]benzamide
SMILESO=C(Nc1cc(S(=O)(=O)N2CCOCC2)ccc1-n1cncn1)c1ccc(Cl)c(S(=O)(=O)Nc2ccccc2Cl)c1
InChIInChI=1S/C25H22Cl2N6O6S2/c26-19-3-1-2-4-21(19)31-40(35,36)24-13-17(5-7-20(24)27)25(34)30-22-14-18(6-8-23(22)33-16-28-15-29-33)41(37,38)32-9-11-39-12-10-32/h1-8,13-16,31H,9-12H2,(H,30,34)
InChIKeyWJTDHBJUKZTDQW-UHFFFAOYSA-N
XLogP3.65
TPSA152.59 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500637.53
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

3-(azepan-1-ylsulfonyl)-4-chloro-N-[5-[(2-chlorophenyl)sulfamoyl]-2-morpholin-4-ylphenyl]benzamide
CID 4691182
N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-fluoro-5-morpholin-4-ylsulfonylbenzamide
CID 24819914
1-[5-morpholin-4-ylsulfonyl-2-(1,2,4-triazol-1-yl)phenyl]-3-phenylthiourea
CID 3306307
N-[5-bromo-2-(1,2,4-triazol-1-yl)phenyl]-3-piperidin-1-ylsulfonylbenzamide
CID 60608764
2-bromo-5-pyrrolidin-1-ylsulfonyl-N-[2-(1,2,4-triazol-1-yl)phenyl]benzamide
CID 55573617
2-chloro-N-[2-(1,2,4-triazol-1-yl)phenyl]benzenesulfonamide
CID 35367970
N-(2-chloro-5-pyrrolidin-1-ylsulfonylphenyl)-2-[(2,5-dichlorophenyl)sulfonylamino]benzamide
CID 4149482
N-[2-(azepan-1-yl)-5-morpholin-4-ylsulfonylphenyl]-2-chloropyridine-4-carboxamide
CID 55456739
N-[5-[(2,5-dichlorophenyl)sulfamoyl]-2-morpholin-4-ylphenyl]naphthalene-2-carboxamide
CID 3996463
N-(5-morpholin-4-ylsulfonyl-2-piperidin-1-ylphenyl)-4-pyrazol-1-ylbenzamide
CID 55369390
N'-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-N-(2-hydroxyphenyl)oxamide
CID 108514243
N-(2-iodophenyl)-3-morpholin-4-ylsulfonylbenzamide
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Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-[(2-chlorophenyl)sulfamoyl]-N-[5-morpholin-4-ylsulfonyl-2-(1,2,4-triazol-1-yl)phenyl]benzamide?
The IUPAC name of 4-chloro-3-[(2-chlorophenyl)sulfamoyl]-N-[5-morpholin-4-ylsulfonyl-2-(1,2,4-triazol-1-yl)phenyl]benzamide (CID 4658421) is 4-chloro-3-[(2-chlorophenyl)sulfamoyl]-N-[5-morpholin-4-ylsulfonyl-2-(1,2,4-triazol-1-yl)phenyl]benzamide.
What is the SMILES notation for 4-chloro-3-[(2-chlorophenyl)sulfamoyl]-N-[5-morpholin-4-ylsulfonyl-2-(1,2,4-triazol-1-yl)phenyl]benzamide?
The canonical SMILES for 4-chloro-3-[(2-chlorophenyl)sulfamoyl]-N-[5-morpholin-4-ylsulfonyl-2-(1,2,4-triazol-1-yl)phenyl]benzamide is O=C(Nc1cc(S(=O)(=O)N2CCOCC2)ccc1-n1cncn1)c1ccc(Cl)c(S(=O)(=O)Nc2ccccc2Cl)c1.
What is the InChIKey of 4-chloro-3-[(2-chlorophenyl)sulfamoyl]-N-[5-morpholin-4-ylsulfonyl-2-(1,2,4-triazol-1-yl)phenyl]benzamide?
The InChIKey is WJTDHBJUKZTDQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22Cl2N6O6S2/c26-19-3-1-2-4-21(19)31-40(35,36)24-13-17(5-7-20(24)27)25(34)30-22-14-18(6-8-23(22)33-16-28-15-29-33)41(37,38)32-9-11-39-12-10-32/h1-8,13-16,31H,9-12H2,(H,30,34).
What are the key properties of 4-chloro-3-[(2-chlorophenyl)sulfamoyl]-N-[5-morpholin-4-ylsulfonyl-2-(1,2,4-triazol-1-yl)phenyl]benzamide?
4-chloro-3-[(2-chlorophenyl)sulfamoyl]-N-[5-morpholin-4-ylsulfonyl-2-(1,2,4-triazol-1-yl)phenyl]benzamide has a molecular weight of 637.53 g/mol, XLogP of 3.65, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-[(2-chlorophenyl)sulfamoyl]-N-[5-morpholin-4-ylsulfonyl-2-(1,2,4-triazol-1-yl)phenyl]benzamide is sourced from PubChem (CID 4658421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).