4-(1,3-benzothiazol-2-yl)-N-hydroxythiophene-2-sulfonamide

C11H8N2O3S3 — CID 11674022

IUPAC4-(1,3-benzothiazol-2-yl)-N-hydroxythiophene-2-sulfonamide
SMILESO=S(=O)(NO)c1cc(-c2nc3ccccc3s2)cs1
InChIInChI=1S/C11H8N2O3S3/c14-13-19(15,16)10-5-7(6-17-10)11-12-8-3-1-2-4-9(8)18-11/h1-6,13-14H
InChIKeyUVJUJLBCHMCLPX-UHFFFAOYSA-N
MW312.40 g/mol
LogP2.69
Rot. Bonds3

About 4-(1,3-benzothiazol-2-yl)-N-hydroxythiophene-2-sulfonamide

4-(1,3-benzothiazol-2-yl)-N-hydroxythiophene-2-sulfonamide (PubChem CID 11674022) has the molecular formula C11H8N2O3S3 and a molecular weight of 312.40 g/mol. Its IUPAC name is 4-(1,3-benzothiazol-2-yl)-N-hydroxythiophene-2-sulfonamide.

Molecular Properties

Compound Name4-(1,3-benzothiazol-2-yl)-N-hydroxythiophene-2-sulfonamide
PubChem CID11674022
Molecular FormulaC11H8N2O3S3
Molecular Weight312.40 g/mol
Exact Mass311.97
IUPAC Name4-(1,3-benzothiazol-2-yl)-N-hydroxythiophene-2-sulfonamide
SMILESO=S(=O)(NO)c1cc(-c2nc3ccccc3s2)cs1
InChIInChI=1S/C11H8N2O3S3/c14-13-19(15,16)10-5-7(6-17-10)11-12-8-3-1-2-4-9(8)18-11/h1-6,13-14H
InChIKeyUVJUJLBCHMCLPX-UHFFFAOYSA-N
XLogP2.69
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.40
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

iridium;bis(2-phenyl-1,3-benzothiazole)
CID 87517023
N-[3-(1,3-benzothiazol-2-yl)phenyl]-4-chlorobenzenesulfonamide
CID 1255601
4-(1,3-benzothiazol-2-yl)benzene-1,2-diol
CID 3027254
2-[3-(1,3-benzothiazol-2-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1,3-benzothiazole
CID 176740300
2-[3-(1,3-benzothiazol-2-yl)-5-bromophenyl]-1,3-benzothiazole
CID 139449990
2-[4-[(E)-2-[4-(1,3-benzothiazol-2-yl)phenyl]ethenyl]phenyl]-1,3-benzothiazole
CID 58995434
N-[3-(1,3-benzothiazol-2-yl)-4-methylthiophen-2-yl]-3-(4-chlorophenyl)benzenesulfonamide
CID 45269720
2-[3-[10-[3-(2,3,4,5,6-pentakis-phenylphenyl)phenyl]anthracen-9-yl]phenyl]-1,3-benzothiazole
CID 155788382
5-(1,3-benzothiazol-2-yl)-2-sulfamoylbenzoic acid
CID 70538450
2-[4-[7-[4-(1,3-benzothiazol-2-yl)phenyl]naphthalen-2-yl]phenyl]-1,3-benzothiazole
CID 130389356
2-(3,4,5-trichlorophenyl)-1,3-benzothiazole
CID 50849600
2-[3-[3-(3-chlorophenyl)phenyl]phenyl]-1,3-benzothiazole
CID 169291592

Frequently Asked Questions

What is the IUPAC name of 4-(1,3-benzothiazol-2-yl)-N-hydroxythiophene-2-sulfonamide?
The IUPAC name of 4-(1,3-benzothiazol-2-yl)-N-hydroxythiophene-2-sulfonamide (CID 11674022) is 4-(1,3-benzothiazol-2-yl)-N-hydroxythiophene-2-sulfonamide.
What is the SMILES notation for 4-(1,3-benzothiazol-2-yl)-N-hydroxythiophene-2-sulfonamide?
The canonical SMILES for 4-(1,3-benzothiazol-2-yl)-N-hydroxythiophene-2-sulfonamide is O=S(=O)(NO)c1cc(-c2nc3ccccc3s2)cs1.
What is the InChIKey of 4-(1,3-benzothiazol-2-yl)-N-hydroxythiophene-2-sulfonamide?
The InChIKey is UVJUJLBCHMCLPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N2O3S3/c14-13-19(15,16)10-5-7(6-17-10)11-12-8-3-1-2-4-9(8)18-11/h1-6,13-14H.
What are the key properties of 4-(1,3-benzothiazol-2-yl)-N-hydroxythiophene-2-sulfonamide?
4-(1,3-benzothiazol-2-yl)-N-hydroxythiophene-2-sulfonamide has a molecular weight of 312.40 g/mol, XLogP of 2.69, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-benzothiazol-2-yl)-N-hydroxythiophene-2-sulfonamide is sourced from PubChem (CID 11674022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).