N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-2-[(5-chlorothiophen-2-yl)sulfonylamino]benzamide

C21H19Cl2N3O6S3 — CID 4642440

IUPACN-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-2-[(5-chlorothiophen-2-yl)sulfonylamino]benzamide
SMILESO=C(Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1)c1ccccc1NS(=O)(=O)c1ccc(Cl)s1
InChIInChI=1S/C21H19Cl2N3O6S3/c22-16-6-5-14(13-18(16)35(30,31)26-9-11-32-12-10-26)24-21(27)15-3-1-2-4-17(15)25-34(28,29)20-8-7-19(23)33-20/h1-8,13,25H,9-12H2,(H,24,27)
InChIKeyZYBRSRVOZMVRNW-UHFFFAOYSA-N
MW576.51 g/mol
LogP4.13
Rot. Bonds7

About N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-2-[(5-chlorothiophen-2-yl)sulfonylamino]benzamide

N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-2-[(5-chlorothiophen-2-yl)sulfonylamino]benzamide (PubChem CID 4642440) has the molecular formula C21H19Cl2N3O6S3 and a molecular weight of 576.51 g/mol. Its IUPAC name is N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-2-[(5-chlorothiophen-2-yl)sulfonylamino]benzamide.

Molecular Properties

Compound NameN-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-2-[(5-chlorothiophen-2-yl)sulfonylamino]benzamide
PubChem CID4642440
Molecular FormulaC21H19Cl2N3O6S3
Molecular Weight576.51 g/mol
Exact Mass574.98
IUPAC NameN-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-2-[(5-chlorothiophen-2-yl)sulfonylamino]benzamide
SMILESO=C(Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1)c1ccccc1NS(=O)(=O)c1ccc(Cl)s1
InChIInChI=1S/C21H19Cl2N3O6S3/c22-16-6-5-14(13-18(16)35(30,31)26-9-11-32-12-10-26)24-21(27)15-3-1-2-4-17(15)25-34(28,29)20-8-7-19(23)33-20/h1-8,13,25H,9-12H2,(H,24,27)
InChIKeyZYBRSRVOZMVRNW-UHFFFAOYSA-N
XLogP4.13
TPSA121.88 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500576.51
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

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CID 3363569
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N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-4-phenylbenzamide
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N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-2,5-difluorobenzamide
CID 55375493
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2-(4-fluoroanilino)-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)benzamide
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CID 3368356
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Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-2-[(5-chlorothiophen-2-yl)sulfonylamino]benzamide?
The IUPAC name of N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-2-[(5-chlorothiophen-2-yl)sulfonylamino]benzamide (CID 4642440) is N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-2-[(5-chlorothiophen-2-yl)sulfonylamino]benzamide.
What is the SMILES notation for N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-2-[(5-chlorothiophen-2-yl)sulfonylamino]benzamide?
The canonical SMILES for N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-2-[(5-chlorothiophen-2-yl)sulfonylamino]benzamide is O=C(Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1)c1ccccc1NS(=O)(=O)c1ccc(Cl)s1.
What is the InChIKey of N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-2-[(5-chlorothiophen-2-yl)sulfonylamino]benzamide?
The InChIKey is ZYBRSRVOZMVRNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19Cl2N3O6S3/c22-16-6-5-14(13-18(16)35(30,31)26-9-11-32-12-10-26)24-21(27)15-3-1-2-4-17(15)25-34(28,29)20-8-7-19(23)33-20/h1-8,13,25H,9-12H2,(H,24,27).
What are the key properties of N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-2-[(5-chlorothiophen-2-yl)sulfonylamino]benzamide?
N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-2-[(5-chlorothiophen-2-yl)sulfonylamino]benzamide has a molecular weight of 576.51 g/mol, XLogP of 4.13, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-2-[(5-chlorothiophen-2-yl)sulfonylamino]benzamide is sourced from PubChem (CID 4642440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).