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

C17H15ClN4O5S3 — CID 30391286

IUPAC3-chloro-4-(methanesulfonamido)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]benzamide
SMILESCS(=O)(=O)Nc1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3nccs3)cc2)cc1Cl
InChIInChI=1S/C17H15ClN4O5S3/c1-29(24,25)21-15-7-2-11(10-14(15)18)16(23)20-12-3-5-13(6-4-12)30(26,27)22-17-19-8-9-28-17/h2-10,21H,1H3,(H,19,22)(H,20,23)
InChIKeyYOKVTPZBYVISFS-UHFFFAOYSA-N
MW486.98 g/mol
LogP3.22
Rot. Bonds7

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

3-chloro-4-(methanesulfonamido)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]benzamide (PubChem CID 30391286) has the molecular formula C17H15ClN4O5S3 and a molecular weight of 486.98 g/mol. Its IUPAC name is 3-chloro-4-(methanesulfonamido)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]benzamide.

Molecular Properties

Compound Name3-chloro-4-(methanesulfonamido)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]benzamide
PubChem CID30391286
Molecular FormulaC17H15ClN4O5S3
Molecular Weight486.98 g/mol
Exact Mass485.99
IUPAC Name3-chloro-4-(methanesulfonamido)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]benzamide
SMILESCS(=O)(=O)Nc1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3nccs3)cc2)cc1Cl
InChIInChI=1S/C17H15ClN4O5S3/c1-29(24,25)21-15-7-2-11(10-14(15)18)16(23)20-12-3-5-13(6-4-12)30(26,27)22-17-19-8-9-28-17/h2-10,21H,1H3,(H,19,22)(H,20,23)
InChIKeyYOKVTPZBYVISFS-UHFFFAOYSA-N
XLogP3.22
TPSA134.33 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.98
LogP ≤ 53.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

4-chloro-3-[(2,3-dimethylphenyl)sulfamoyl]-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]benzamide
CID 126416977
3-[(2,3-dimethylphenyl)sulfamoyl]-4-methyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]benzamide
CID 3474646
4-(methanesulfonamido)-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 653937
4-nitro-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]benzamide
CID 2246052
5-(benzenesulfonamido)-2-chloro-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]benzamide
CID 43909921
3-chloro-4-(methanesulfonamido)-N-phenylbenzamide
CID 38014443
4-chloro-N-[[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]carbamoyl]benzamide
CID 25041464
N-(5,6-dimethyl-3-pyridinyl)-4-(1,3-thiazol-2-ylsulfamoyl)benzamide
CID 87488160
4-chloro-N-[3-oxo-3-[4-(1,3-thiazol-2-ylsulfamoyl)anilino]propyl]benzamide
CID 26289110
3-bromo-4-methyl-N-[[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]carbamothioyl]benzamide
CID 3376197
3-iodo-4-methyl-N-[[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]carbamothioyl]benzamide
CID 5229800
3-chloro-4-[(4-methylphenyl)sulfonylamino]-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]benzamide
CID 43909240

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-(methanesulfonamido)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]benzamide?
The IUPAC name of 3-chloro-4-(methanesulfonamido)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]benzamide (CID 30391286) is 3-chloro-4-(methanesulfonamido)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]benzamide.
What is the SMILES notation for 3-chloro-4-(methanesulfonamido)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]benzamide?
The canonical SMILES for 3-chloro-4-(methanesulfonamido)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]benzamide is CS(=O)(=O)Nc1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3nccs3)cc2)cc1Cl.
What is the InChIKey of 3-chloro-4-(methanesulfonamido)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]benzamide?
The InChIKey is YOKVTPZBYVISFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN4O5S3/c1-29(24,25)21-15-7-2-11(10-14(15)18)16(23)20-12-3-5-13(6-4-12)30(26,27)22-17-19-8-9-28-17/h2-10,21H,1H3,(H,19,22)(H,20,23).
What are the key properties of 3-chloro-4-(methanesulfonamido)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]benzamide?
3-chloro-4-(methanesulfonamido)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]benzamide has a molecular weight of 486.98 g/mol, XLogP of 3.22, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-(methanesulfonamido)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]benzamide is sourced from PubChem (CID 30391286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).