2-chloro-5-(dimethylsulfamoyl)-N-[4-(1,3-thiazol-2-ylcarbamoyl)phenyl]benzamide

C19H17ClN4O4S2 — CID 55602065

IUPAC2-chloro-5-(dimethylsulfamoyl)-N-[4-(1,3-thiazol-2-ylcarbamoyl)phenyl]benzamide
SMILESCN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2ccc(C(=O)Nc3nccs3)cc2)c1
InChIInChI=1S/C19H17ClN4O4S2/c1-24(2)30(27,28)14-7-8-16(20)15(11-14)18(26)22-13-5-3-12(4-6-13)17(25)23-19-21-9-10-29-19/h3-11H,1-2H3,(H,22,26)(H,21,23,25)
InChIKeyUNZSHVYULGFTPA-UHFFFAOYSA-N
MW464.96 g/mol
LogP3.55
Rot. Bonds6

About 2-chloro-5-(dimethylsulfamoyl)-N-[4-(1,3-thiazol-2-ylcarbamoyl)phenyl]benzamide

2-chloro-5-(dimethylsulfamoyl)-N-[4-(1,3-thiazol-2-ylcarbamoyl)phenyl]benzamide (PubChem CID 55602065) has the molecular formula C19H17ClN4O4S2 and a molecular weight of 464.96 g/mol. Its IUPAC name is 2-chloro-5-(dimethylsulfamoyl)-N-[4-(1,3-thiazol-2-ylcarbamoyl)phenyl]benzamide.

Molecular Properties

Compound Name2-chloro-5-(dimethylsulfamoyl)-N-[4-(1,3-thiazol-2-ylcarbamoyl)phenyl]benzamide
PubChem CID55602065
Molecular FormulaC19H17ClN4O4S2
Molecular Weight464.96 g/mol
Exact Mass464.04
IUPAC Name2-chloro-5-(dimethylsulfamoyl)-N-[4-(1,3-thiazol-2-ylcarbamoyl)phenyl]benzamide
SMILESCN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2ccc(C(=O)Nc3nccs3)cc2)c1
InChIInChI=1S/C19H17ClN4O4S2/c1-24(2)30(27,28)14-7-8-16(20)15(11-14)18(26)22-13-5-3-12(4-6-13)17(25)23-19-21-9-10-29-19/h3-11H,1-2H3,(H,22,26)(H,21,23,25)
InChIKeyUNZSHVYULGFTPA-UHFFFAOYSA-N
XLogP3.55
TPSA108.47 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.96
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-(dimethylsulfamoyl)-N-(1,3-thiazol-2-yl)benzamide
CID 4030304
2,5-dichloro-N-[4-(dimethylsulfamoyl)phenyl]benzamide
CID 9494815
2-chloro-N-(3-chloro-4-methylphenyl)-5-(dimethylsulfamoyl)benzamide
CID 2665830
2-chloro-5-pyrrolidin-1-ylsulfonyl-N-(1,3-thiazol-2-yl)benzamide
CID 8762849
4-[[5-(dimethylsulfamoyl)-1-benzofuran-2-yl]methoxy]-N-(1,3-thiazol-2-yl)benzamide
CID 45490906
5-(benzenesulfonamido)-2-chloro-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]benzamide
CID 43909921
3-chloro-4-(methanesulfonamido)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]benzamide
CID 30391286
4-[cyclopentyl(methyl)sulfamoyl]-N-(1,3-thiazol-2-yl)benzamide
CID 7656045
2-chloro-N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]-5-(dimethylsulfamoyl)benzamide
CID 30860063
4-ethylsulfonyl-N-(1,3-thiazol-2-yl)benzamide
CID 7295292
3-(dimethylsulfamoyl)-N-[4-(1,3-thiazol-2-yl)phenyl]benzamide
CID 8795483
2-chloro-N-(2,2-dimethyl-1,3-benzodioxol-5-yl)-5-(dimethylsulfamoyl)benzamide
CID 55727742

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(dimethylsulfamoyl)-N-[4-(1,3-thiazol-2-ylcarbamoyl)phenyl]benzamide?
The IUPAC name of 2-chloro-5-(dimethylsulfamoyl)-N-[4-(1,3-thiazol-2-ylcarbamoyl)phenyl]benzamide (CID 55602065) is 2-chloro-5-(dimethylsulfamoyl)-N-[4-(1,3-thiazol-2-ylcarbamoyl)phenyl]benzamide.
What is the SMILES notation for 2-chloro-5-(dimethylsulfamoyl)-N-[4-(1,3-thiazol-2-ylcarbamoyl)phenyl]benzamide?
The canonical SMILES for 2-chloro-5-(dimethylsulfamoyl)-N-[4-(1,3-thiazol-2-ylcarbamoyl)phenyl]benzamide is CN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2ccc(C(=O)Nc3nccs3)cc2)c1.
What is the InChIKey of 2-chloro-5-(dimethylsulfamoyl)-N-[4-(1,3-thiazol-2-ylcarbamoyl)phenyl]benzamide?
The InChIKey is UNZSHVYULGFTPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN4O4S2/c1-24(2)30(27,28)14-7-8-16(20)15(11-14)18(26)22-13-5-3-12(4-6-13)17(25)23-19-21-9-10-29-19/h3-11H,1-2H3,(H,22,26)(H,21,23,25).
What are the key properties of 2-chloro-5-(dimethylsulfamoyl)-N-[4-(1,3-thiazol-2-ylcarbamoyl)phenyl]benzamide?
2-chloro-5-(dimethylsulfamoyl)-N-[4-(1,3-thiazol-2-ylcarbamoyl)phenyl]benzamide has a molecular weight of 464.96 g/mol, XLogP of 3.55, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(dimethylsulfamoyl)-N-[4-(1,3-thiazol-2-ylcarbamoyl)phenyl]benzamide is sourced from PubChem (CID 55602065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).