N-[3-(benzenesulfonyl)phenyl]-2-oxo-3H-1,3-thiazole-5-sulfonamide

C15H12N2O5S3 — CID 167917056

IUPACN-[3-(benzenesulfonyl)phenyl]-2-oxo-3H-1,3-thiazole-5-sulfonamide
SMILESO=c1[nH]cc(S(=O)(=O)Nc2cccc(S(=O)(=O)c3ccccc3)c2)s1
InChIInChI=1S/C15H12N2O5S3/c18-15-16-10-14(23-15)25(21,22)17-11-5-4-8-13(9-11)24(19,20)12-6-2-1-3-7-12/h1-10,17H,(H,16,18)
InChIKeyGHEUAPJWSGHHEN-UHFFFAOYSA-N
MW396.47 g/mol
LogP2.07
Rot. Bonds5

About N-[3-(benzenesulfonyl)phenyl]-2-oxo-3H-1,3-thiazole-5-sulfonamide

N-[3-(benzenesulfonyl)phenyl]-2-oxo-3H-1,3-thiazole-5-sulfonamide (PubChem CID 167917056) has the molecular formula C15H12N2O5S3 and a molecular weight of 396.47 g/mol. Its IUPAC name is N-[3-(benzenesulfonyl)phenyl]-2-oxo-3H-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound NameN-[3-(benzenesulfonyl)phenyl]-2-oxo-3H-1,3-thiazole-5-sulfonamide
PubChem CID167917056
Molecular FormulaC15H12N2O5S3
Molecular Weight396.47 g/mol
Exact Mass395.99
IUPAC NameN-[3-(benzenesulfonyl)phenyl]-2-oxo-3H-1,3-thiazole-5-sulfonamide
SMILESO=c1[nH]cc(S(=O)(=O)Nc2cccc(S(=O)(=O)c3ccccc3)c2)s1
InChIInChI=1S/C15H12N2O5S3/c18-15-16-10-14(23-15)25(21,22)17-11-5-4-8-13(9-11)24(19,20)12-6-2-1-3-7-12/h1-10,17H,(H,16,18)
InChIKeyGHEUAPJWSGHHEN-UHFFFAOYSA-N
XLogP2.07
TPSA113.17 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.47
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-(benzenesulfonyl)-N-(3-sulfamoylphenyl)thiophene-2-sulfonamide
CID 5097147
3-(benzenesulfonyl)-N-(3-bromophenyl)benzenesulfonamide
CID 1310237
N-[3-(benzenesulfonyl)phenyl]-5-methyl-1H-pyrazole-4-sulfonamide
CID 154848350
N-(3-pyrrolidin-1-ylsulfonylphenyl)benzenesulfonamide
CID 7996091
N-[3-(azepan-1-ylsulfonyl)phenyl]benzenesulfonamide
CID 2919639
5-(benzenesulfonyl)-N-(2,4-dioxo-3-oxatricyclo[7.3.1.05,13]trideca-1(12),5(13),6,8,10-pentaen-7-yl)thiophene-2-sulfonamide
CID 71520247
N-(3-methylphenyl)-3-[3-[(3-methylphenyl)sulfamoyl]phenyl]sulfonylbenzenesulfonamide
CID 3091379
N-(3-cyano-1H-indol-7-yl)-2-oxo-3H-1,3-thiazole-5-sulfonamide
CID 171055447
N-[4-[[5-(benzenesulfonyl)thiophen-2-yl]sulfonylamino]phenyl]acetamide
CID 2814518
N-[3-(benzenesulfonyl)phenyl]acetamide;molecular hydrogen
CID 142001104
5-(benzenesulfonyl)-N-[3-([1,3]thiazolo[5,4-c]pyridin-2-yl)phenyl]thiophene-2-sulfonamide
CID 59679841
N-[3-(1,3-dioxoisoindol-2-yl)phenyl]benzenesulfonamide
CID 110352274

Frequently Asked Questions

What is the IUPAC name of N-[3-(benzenesulfonyl)phenyl]-2-oxo-3H-1,3-thiazole-5-sulfonamide?
The IUPAC name of N-[3-(benzenesulfonyl)phenyl]-2-oxo-3H-1,3-thiazole-5-sulfonamide (CID 167917056) is N-[3-(benzenesulfonyl)phenyl]-2-oxo-3H-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for N-[3-(benzenesulfonyl)phenyl]-2-oxo-3H-1,3-thiazole-5-sulfonamide?
The canonical SMILES for N-[3-(benzenesulfonyl)phenyl]-2-oxo-3H-1,3-thiazole-5-sulfonamide is O=c1[nH]cc(S(=O)(=O)Nc2cccc(S(=O)(=O)c3ccccc3)c2)s1.
What is the InChIKey of N-[3-(benzenesulfonyl)phenyl]-2-oxo-3H-1,3-thiazole-5-sulfonamide?
The InChIKey is GHEUAPJWSGHHEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O5S3/c18-15-16-10-14(23-15)25(21,22)17-11-5-4-8-13(9-11)24(19,20)12-6-2-1-3-7-12/h1-10,17H,(H,16,18).
What are the key properties of N-[3-(benzenesulfonyl)phenyl]-2-oxo-3H-1,3-thiazole-5-sulfonamide?
N-[3-(benzenesulfonyl)phenyl]-2-oxo-3H-1,3-thiazole-5-sulfonamide has a molecular weight of 396.47 g/mol, XLogP of 2.07, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(benzenesulfonyl)phenyl]-2-oxo-3H-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 167917056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).