4-(methanesulfonamido)-N-(1,3-thiazol-2-yl)benzenesulfonamide

C10H11N3O4S3 — CID 653937

IUPAC4-(methanesulfonamido)-N-(1,3-thiazol-2-yl)benzenesulfonamide
SMILESCS(=O)(=O)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1
InChIInChI=1S/C10H11N3O4S3/c1-19(14,15)12-8-2-4-9(5-3-8)20(16,17)13-10-11-6-7-18-10/h2-7,12H,1H3,(H,11,13)
InChIKeyFJLISSNGOVUPHB-UHFFFAOYSA-N
MW333.42 g/mol
LogP1.32
Rot. Bonds5

About 4-(methanesulfonamido)-N-(1,3-thiazol-2-yl)benzenesulfonamide

4-(methanesulfonamido)-N-(1,3-thiazol-2-yl)benzenesulfonamide (PubChem CID 653937) has the molecular formula C10H11N3O4S3 and a molecular weight of 333.42 g/mol. Its IUPAC name is 4-(methanesulfonamido)-N-(1,3-thiazol-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-(methanesulfonamido)-N-(1,3-thiazol-2-yl)benzenesulfonamide
PubChem CID653937
Molecular FormulaC10H11N3O4S3
Molecular Weight333.42 g/mol
Exact Mass332.99
IUPAC Name4-(methanesulfonamido)-N-(1,3-thiazol-2-yl)benzenesulfonamide
SMILESCS(=O)(=O)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1
InChIInChI=1S/C10H11N3O4S3/c1-19(14,15)12-8-2-4-9(5-3-8)20(16,17)13-10-11-6-7-18-10/h2-7,12H,1H3,(H,11,13)
InChIKeyFJLISSNGOVUPHB-UHFFFAOYSA-N
XLogP1.32
TPSA105.23 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.42
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

ethane;4-methyl-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen
CID 145483672
4-[(4-phenoxyphenyl)sulfonylamino]-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 43908583
2,4,5-trichloro-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]benzenesulfonamide
CID 3577500
3-chloro-4-(methanesulfonamido)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]benzamide
CID 30391286
3,3-dimethyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]butanamide
CID 17368902
(2S)-2-methyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]butanamide
CID 783874
[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]azanium tetrafluoroborate
CID 139204733
4-(2-methylbutan-2-yl)-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 166217835
4-(2-chloroethyl)-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 28719509
4-[(4-aminophenyl)methylamino]-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 71580375
ethane;4-hydroxy-2-methyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]butanamide
CID 90981855
1-(4-ethoxyphenyl)-3-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]thiourea
CID 25043569

Frequently Asked Questions

What is the IUPAC name of 4-(methanesulfonamido)-N-(1,3-thiazol-2-yl)benzenesulfonamide?
The IUPAC name of 4-(methanesulfonamido)-N-(1,3-thiazol-2-yl)benzenesulfonamide (CID 653937) is 4-(methanesulfonamido)-N-(1,3-thiazol-2-yl)benzenesulfonamide.
What is the SMILES notation for 4-(methanesulfonamido)-N-(1,3-thiazol-2-yl)benzenesulfonamide?
The canonical SMILES for 4-(methanesulfonamido)-N-(1,3-thiazol-2-yl)benzenesulfonamide is CS(=O)(=O)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1.
What is the InChIKey of 4-(methanesulfonamido)-N-(1,3-thiazol-2-yl)benzenesulfonamide?
The InChIKey is FJLISSNGOVUPHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O4S3/c1-19(14,15)12-8-2-4-9(5-3-8)20(16,17)13-10-11-6-7-18-10/h2-7,12H,1H3,(H,11,13).
What are the key properties of 4-(methanesulfonamido)-N-(1,3-thiazol-2-yl)benzenesulfonamide?
4-(methanesulfonamido)-N-(1,3-thiazol-2-yl)benzenesulfonamide has a molecular weight of 333.42 g/mol, XLogP of 1.32, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methanesulfonamido)-N-(1,3-thiazol-2-yl)benzenesulfonamide is sourced from PubChem (CID 653937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).