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

C16H14N2O4S3 — CID 87471470

IUPAC4-benzylsulfonyl-N-(1,3-thiazol-2-yl)benzenesulfonamide
SMILESO=S(=O)(Cc1ccccc1)c1ccc(S(=O)(=O)Nc2nccs2)cc1
InChIInChI=1S/C16H14N2O4S3/c19-24(20,12-13-4-2-1-3-5-13)14-6-8-15(9-7-14)25(21,22)18-16-17-10-11-23-16/h1-11H,12H2,(H,17,18)
InChIKeyJTLAEQXNUMYTAL-UHFFFAOYSA-N
MW394.50 g/mol
LogP2.92
Rot. Bonds6

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

4-benzylsulfonyl-N-(1,3-thiazol-2-yl)benzenesulfonamide (PubChem CID 87471470) has the molecular formula C16H14N2O4S3 and a molecular weight of 394.50 g/mol. Its IUPAC name is 4-benzylsulfonyl-N-(1,3-thiazol-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-benzylsulfonyl-N-(1,3-thiazol-2-yl)benzenesulfonamide
PubChem CID87471470
Molecular FormulaC16H14N2O4S3
Molecular Weight394.50 g/mol
Exact Mass394.01
IUPAC Name4-benzylsulfonyl-N-(1,3-thiazol-2-yl)benzenesulfonamide
SMILESO=S(=O)(Cc1ccccc1)c1ccc(S(=O)(=O)Nc2nccs2)cc1
InChIInChI=1S/C16H14N2O4S3/c19-24(20,12-13-4-2-1-3-5-13)14-6-8-15(9-7-14)25(21,22)18-16-17-10-11-23-16/h1-11H,12H2,(H,17,18)
InChIKeyJTLAEQXNUMYTAL-UHFFFAOYSA-N
XLogP2.92
TPSA93.20 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.50
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(2-chloroethyl)-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 28719509
4-[(4-phenoxyphenyl)sulfonylamino]-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 43908583
3-(phenoxymethyl)-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 71691339
N-[(3-phenylphenyl)methyl]-4-(1,3-thiazol-2-ylsulfamoyl)benzamide
CID 87488273
ethane;4-methyl-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen
CID 145483672
4-(methanesulfonamido)-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 653937
4-[2-(propan-2-ylamino)ethyl]-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 106031784
1-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]cyclopropane-1-carboxylic acid
CID 115914201
4-(acridin-9-ylamino)-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 10550689
[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
2-[[4-(1,3-thiazol-2-ylsulfamoyl)benzoyl]amino]acetic acid
CID 146122970

Frequently Asked Questions

What is the IUPAC name of 4-benzylsulfonyl-N-(1,3-thiazol-2-yl)benzenesulfonamide?
The IUPAC name of 4-benzylsulfonyl-N-(1,3-thiazol-2-yl)benzenesulfonamide (CID 87471470) is 4-benzylsulfonyl-N-(1,3-thiazol-2-yl)benzenesulfonamide.
What is the SMILES notation for 4-benzylsulfonyl-N-(1,3-thiazol-2-yl)benzenesulfonamide?
The canonical SMILES for 4-benzylsulfonyl-N-(1,3-thiazol-2-yl)benzenesulfonamide is O=S(=O)(Cc1ccccc1)c1ccc(S(=O)(=O)Nc2nccs2)cc1.
What is the InChIKey of 4-benzylsulfonyl-N-(1,3-thiazol-2-yl)benzenesulfonamide?
The InChIKey is JTLAEQXNUMYTAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O4S3/c19-24(20,12-13-4-2-1-3-5-13)14-6-8-15(9-7-14)25(21,22)18-16-17-10-11-23-16/h1-11H,12H2,(H,17,18).
What are the key properties of 4-benzylsulfonyl-N-(1,3-thiazol-2-yl)benzenesulfonamide?
4-benzylsulfonyl-N-(1,3-thiazol-2-yl)benzenesulfonamide has a molecular weight of 394.50 g/mol, XLogP of 2.92, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzylsulfonyl-N-(1,3-thiazol-2-yl)benzenesulfonamide is sourced from PubChem (CID 87471470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).