2-chloro-N-[3-oxo-3-[4-(1,3-thiazol-2-ylsulfamoyl)anilino]propyl]benzamide

C19H17ClN4O4S2 — CID 2118000

IUPAC2-chloro-N-[3-oxo-3-[4-(1,3-thiazol-2-ylsulfamoyl)anilino]propyl]benzamide
SMILESO=C(CCNC(=O)c1ccccc1Cl)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1
InChIInChI=1S/C19H17ClN4O4S2/c20-16-4-2-1-3-15(16)18(26)21-10-9-17(25)23-13-5-7-14(8-6-13)30(27,28)24-19-22-11-12-29-19/h1-8,11-12H,9-10H2,(H,21,26)(H,22,24)(H,23,25)
InChIKeyDAUBHBRMPLAGGM-UHFFFAOYSA-N
MW464.96 g/mol
LogP3.36
Rot. Bonds8

About 2-chloro-N-[3-oxo-3-[4-(1,3-thiazol-2-ylsulfamoyl)anilino]propyl]benzamide

2-chloro-N-[3-oxo-3-[4-(1,3-thiazol-2-ylsulfamoyl)anilino]propyl]benzamide (PubChem CID 2118000) has the molecular formula C19H17ClN4O4S2 and a molecular weight of 464.96 g/mol. Its IUPAC name is 2-chloro-N-[3-oxo-3-[4-(1,3-thiazol-2-ylsulfamoyl)anilino]propyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[3-oxo-3-[4-(1,3-thiazol-2-ylsulfamoyl)anilino]propyl]benzamide
PubChem CID2118000
Molecular FormulaC19H17ClN4O4S2
Molecular Weight464.96 g/mol
Exact Mass464.04
IUPAC Name2-chloro-N-[3-oxo-3-[4-(1,3-thiazol-2-ylsulfamoyl)anilino]propyl]benzamide
SMILESO=C(CCNC(=O)c1ccccc1Cl)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1
InChIInChI=1S/C19H17ClN4O4S2/c20-16-4-2-1-3-15(16)18(26)21-10-9-17(25)23-13-5-7-14(8-6-13)30(27,28)24-19-22-11-12-29-19/h1-8,11-12H,9-10H2,(H,21,26)(H,22,24)(H,23,25)
InChIKeyDAUBHBRMPLAGGM-UHFFFAOYSA-N
XLogP3.36
TPSA117.26 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.96
LogP ≤ 53.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

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CID 409040
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CID 1115153
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CID 471787
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CID 1245634
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CID 1982030
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CID 2130259
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CID 2678352
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CID 3107107
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CID 4355749
CID 4355749

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[3-oxo-3-[4-(1,3-thiazol-2-ylsulfamoyl)anilino]propyl]benzamide?
The IUPAC name of 2-chloro-N-[3-oxo-3-[4-(1,3-thiazol-2-ylsulfamoyl)anilino]propyl]benzamide (CID 2118000) is 2-chloro-N-[3-oxo-3-[4-(1,3-thiazol-2-ylsulfamoyl)anilino]propyl]benzamide.
What is the SMILES notation for 2-chloro-N-[3-oxo-3-[4-(1,3-thiazol-2-ylsulfamoyl)anilino]propyl]benzamide?
The canonical SMILES for 2-chloro-N-[3-oxo-3-[4-(1,3-thiazol-2-ylsulfamoyl)anilino]propyl]benzamide is O=C(CCNC(=O)c1ccccc1Cl)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1.
What is the InChIKey of 2-chloro-N-[3-oxo-3-[4-(1,3-thiazol-2-ylsulfamoyl)anilino]propyl]benzamide?
The InChIKey is DAUBHBRMPLAGGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN4O4S2/c20-16-4-2-1-3-15(16)18(26)21-10-9-17(25)23-13-5-7-14(8-6-13)30(27,28)24-19-22-11-12-29-19/h1-8,11-12H,9-10H2,(H,21,26)(H,22,24)(H,23,25).
What are the key properties of 2-chloro-N-[3-oxo-3-[4-(1,3-thiazol-2-ylsulfamoyl)anilino]propyl]benzamide?
2-chloro-N-[3-oxo-3-[4-(1,3-thiazol-2-ylsulfamoyl)anilino]propyl]benzamide has a molecular weight of 464.96 g/mol, XLogP of 3.36, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[3-oxo-3-[4-(1,3-thiazol-2-ylsulfamoyl)anilino]propyl]benzamide is sourced from PubChem (CID 2118000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).