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

C19H17ClN4O4S2 — CID 26289110

IUPAC4-chloro-N-[3-oxo-3-[4-(1,3-thiazol-2-ylsulfamoyl)anilino]propyl]benzamide
SMILESO=C(CCNC(=O)c1ccc(Cl)cc1)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1
InChIInChI=1S/C19H17ClN4O4S2/c20-14-3-1-13(2-4-14)18(26)21-10-9-17(25)23-15-5-7-16(8-6-15)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)
InChIKeyPBFNPPWLTDAZHB-UHFFFAOYSA-N
MW464.96 g/mol
LogP3.36
Rot. Bonds8

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

4-chloro-N-[3-oxo-3-[4-(1,3-thiazol-2-ylsulfamoyl)anilino]propyl]benzamide (PubChem CID 26289110) has the molecular formula C19H17ClN4O4S2 and a molecular weight of 464.96 g/mol. Its IUPAC name is 4-chloro-N-[3-oxo-3-[4-(1,3-thiazol-2-ylsulfamoyl)anilino]propyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[3-oxo-3-[4-(1,3-thiazol-2-ylsulfamoyl)anilino]propyl]benzamide
PubChem CID26289110
Molecular FormulaC19H17ClN4O4S2
Molecular Weight464.96 g/mol
Exact Mass464.04
IUPAC Name4-chloro-N-[3-oxo-3-[4-(1,3-thiazol-2-ylsulfamoyl)anilino]propyl]benzamide
SMILESO=C(CCNC(=O)c1ccc(Cl)cc1)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1
InChIInChI=1S/C19H17ClN4O4S2/c20-14-3-1-13(2-4-14)18(26)21-10-9-17(25)23-15-5-7-16(8-6-15)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)
InChIKeyPBFNPPWLTDAZHB-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

4-chloro-N-[[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]carbamoyl]benzamide
CID 25041464
N-[(2,4-dichlorophenyl)methyl]-4-(1,3-thiazol-2-ylsulfamoyl)benzamide
CID 87487495
2-[[4-(1,3-thiazol-2-ylsulfamoyl)benzoyl]amino]acetic acid
CID 146122970
(3S)-3-(carbamoylamino)-3-(4-chlorophenyl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]propanamide
CID 41029740
4-(4-methoxyphenyl)-4-oxo-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]butanamide
CID 108796477
3,3-dimethyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]butanamide
CID 17368902
3-(4-propan-2-ylphenyl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]propanamide
CID 19221513
4-nitro-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]benzamide
CID 2246052
2-(4-chloro-2-methylphenoxy)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide
CID 1291104
3-chloro-4-(methanesulfonamido)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]benzamide
CID 30391286
2-[(4-chlorophenoxy)methyl]-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]pyrazole-3-carboxamide
CID 19507330
2-(3,4-dimethylphenyl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide
CID 8961470

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[3-oxo-3-[4-(1,3-thiazol-2-ylsulfamoyl)anilino]propyl]benzamide?
The IUPAC name of 4-chloro-N-[3-oxo-3-[4-(1,3-thiazol-2-ylsulfamoyl)anilino]propyl]benzamide (CID 26289110) is 4-chloro-N-[3-oxo-3-[4-(1,3-thiazol-2-ylsulfamoyl)anilino]propyl]benzamide.
What is the SMILES notation for 4-chloro-N-[3-oxo-3-[4-(1,3-thiazol-2-ylsulfamoyl)anilino]propyl]benzamide?
The canonical SMILES for 4-chloro-N-[3-oxo-3-[4-(1,3-thiazol-2-ylsulfamoyl)anilino]propyl]benzamide is O=C(CCNC(=O)c1ccc(Cl)cc1)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1.
What is the InChIKey of 4-chloro-N-[3-oxo-3-[4-(1,3-thiazol-2-ylsulfamoyl)anilino]propyl]benzamide?
The InChIKey is PBFNPPWLTDAZHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN4O4S2/c20-14-3-1-13(2-4-14)18(26)21-10-9-17(25)23-15-5-7-16(8-6-15)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 4-chloro-N-[3-oxo-3-[4-(1,3-thiazol-2-ylsulfamoyl)anilino]propyl]benzamide?
4-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 4-chloro-N-[3-oxo-3-[4-(1,3-thiazol-2-ylsulfamoyl)anilino]propyl]benzamide is sourced from PubChem (CID 26289110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).