N-(1,2-benzothiazol-5-yl)thiophene-2-sulfonamide

C11H8N2O2S3 — CID 75511045

IUPACN-(1,2-benzothiazol-5-yl)thiophene-2-sulfonamide
SMILESO=S(=O)(Nc1ccc2sncc2c1)c1cccs1
InChIInChI=1S/C11H8N2O2S3/c14-18(15,11-2-1-5-16-11)13-9-3-4-10-8(6-9)7-12-17-10/h1-7,13H
InChIKeySCROYMALYIPFPW-UHFFFAOYSA-N
MW296.40 g/mol
LogP3.16
Rot. Bonds3

About N-(1,2-benzothiazol-5-yl)thiophene-2-sulfonamide

N-(1,2-benzothiazol-5-yl)thiophene-2-sulfonamide (PubChem CID 75511045) has the molecular formula C11H8N2O2S3 and a molecular weight of 296.40 g/mol. Its IUPAC name is N-(1,2-benzothiazol-5-yl)thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-(1,2-benzothiazol-5-yl)thiophene-2-sulfonamide
PubChem CID75511045
Molecular FormulaC11H8N2O2S3
Molecular Weight296.40 g/mol
Exact Mass295.97
IUPAC NameN-(1,2-benzothiazol-5-yl)thiophene-2-sulfonamide
SMILESO=S(=O)(Nc1ccc2sncc2c1)c1cccs1
InChIInChI=1S/C11H8N2O2S3/c14-18(15,11-2-1-5-16-11)13-9-3-4-10-8(6-9)7-12-17-10/h1-7,13H
InChIKeySCROYMALYIPFPW-UHFFFAOYSA-N
XLogP3.16
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.40
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1,2-benzothiazol-5-yl)thiophene-2-sulfonamide?
The IUPAC name of N-(1,2-benzothiazol-5-yl)thiophene-2-sulfonamide (CID 75511045) is N-(1,2-benzothiazol-5-yl)thiophene-2-sulfonamide.
What is the SMILES notation for N-(1,2-benzothiazol-5-yl)thiophene-2-sulfonamide?
The canonical SMILES for N-(1,2-benzothiazol-5-yl)thiophene-2-sulfonamide is O=S(=O)(Nc1ccc2sncc2c1)c1cccs1.
What is the InChIKey of N-(1,2-benzothiazol-5-yl)thiophene-2-sulfonamide?
The InChIKey is SCROYMALYIPFPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N2O2S3/c14-18(15,11-2-1-5-16-11)13-9-3-4-10-8(6-9)7-12-17-10/h1-7,13H.
What are the key properties of N-(1,2-benzothiazol-5-yl)thiophene-2-sulfonamide?
N-(1,2-benzothiazol-5-yl)thiophene-2-sulfonamide has a molecular weight of 296.40 g/mol, XLogP of 3.16, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2-benzothiazol-5-yl)thiophene-2-sulfonamide is sourced from PubChem (CID 75511045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).