4-chloro-N-[[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]carbamoyl]benzamide

C17H13ClN4O4S2 — CID 25041464

IUPAC4-chloro-N-[[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]carbamoyl]benzamide
SMILESO=C(NC(=O)c1ccc(Cl)cc1)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1
InChIInChI=1S/C17H13ClN4O4S2/c18-12-3-1-11(2-4-12)15(23)21-16(24)20-13-5-7-14(8-6-13)28(25,26)22-17-19-9-10-27-17/h1-10H,(H,19,22)(H2,20,21,23,24)
InChIKeyCIEHCZNREIJNLL-UHFFFAOYSA-N
MW436.90 g/mol
LogP3.56
Rot. Bonds5

About 4-chloro-N-[[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]carbamoyl]benzamide

4-chloro-N-[[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]carbamoyl]benzamide (PubChem CID 25041464) has the molecular formula C17H13ClN4O4S2 and a molecular weight of 436.90 g/mol. Its IUPAC name is 4-chloro-N-[[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]carbamoyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]carbamoyl]benzamide
PubChem CID25041464
Molecular FormulaC17H13ClN4O4S2
Molecular Weight436.90 g/mol
Exact Mass436.01
IUPAC Name4-chloro-N-[[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]carbamoyl]benzamide
SMILESO=C(NC(=O)c1ccc(Cl)cc1)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1
InChIInChI=1S/C17H13ClN4O4S2/c18-12-3-1-11(2-4-12)15(23)21-16(24)20-13-5-7-14(8-6-13)28(25,26)22-17-19-9-10-27-17/h1-10H,(H,19,22)(H2,20,21,23,24)
InChIKeyCIEHCZNREIJNLL-UHFFFAOYSA-N
XLogP3.56
TPSA117.26 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.90
LogP ≤ 53.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

4-chloro-N-[3-oxo-3-[4-(1,3-thiazol-2-ylsulfamoyl)anilino]propyl]benzamide
CID 26289110
N-[(2,4-dichlorophenyl)methyl]-4-(1,3-thiazol-2-ylsulfamoyl)benzamide
CID 87487495
4-nitro-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]benzamide
CID 2246052
(2S)-2-(4-chlorophenyl)sulfanyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]propanamide
CID 40964488
1-[1-(4-chlorophenyl)sulfonylpyrrolidin-2-yl]-3-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]urea
CID 25044879
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
(3S)-3-(carbamoylamino)-3-(4-chlorophenyl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]propanamide
CID 41029740
(2S)-2-(4-chlorophenyl)sulfanyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]butanamide
CID 94016494
5-(benzenesulfonamido)-2-chloro-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]benzamide
CID 43909921
2-[[4-(1,3-thiazol-2-ylsulfamoyl)benzoyl]amino]acetic acid
CID 146122970
3-bromo-4-methyl-N-[[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]carbamothioyl]benzamide
CID 3376197

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]carbamoyl]benzamide?
The IUPAC name of 4-chloro-N-[[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]carbamoyl]benzamide (CID 25041464) is 4-chloro-N-[[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]carbamoyl]benzamide.
What is the SMILES notation for 4-chloro-N-[[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]carbamoyl]benzamide?
The canonical SMILES for 4-chloro-N-[[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]carbamoyl]benzamide is O=C(NC(=O)c1ccc(Cl)cc1)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1.
What is the InChIKey of 4-chloro-N-[[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]carbamoyl]benzamide?
The InChIKey is CIEHCZNREIJNLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClN4O4S2/c18-12-3-1-11(2-4-12)15(23)21-16(24)20-13-5-7-14(8-6-13)28(25,26)22-17-19-9-10-27-17/h1-10H,(H,19,22)(H2,20,21,23,24).
What are the key properties of 4-chloro-N-[[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]carbamoyl]benzamide?
4-chloro-N-[[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]carbamoyl]benzamide has a molecular weight of 436.90 g/mol, XLogP of 3.56, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]carbamoyl]benzamide is sourced from PubChem (CID 25041464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).