N-(1,2-benzothiazol-6-yl)methanesulfonamide

C8H8N2O2S2 — CID 70645082

IUPACN-(1,2-benzothiazol-6-yl)methanesulfonamide
SMILESCS(=O)(=O)Nc1ccc2cnsc2c1
InChIInChI=1S/C8H8N2O2S2/c1-14(11,12)10-7-3-2-6-5-9-13-8(6)4-7/h2-5,10H,1H3
InChIKeyALOIQNMUGNJZOE-UHFFFAOYSA-N
MW228.30 g/mol
LogP1.67
Rot. Bonds2

About N-(1,2-benzothiazol-6-yl)methanesulfonamide

N-(1,2-benzothiazol-6-yl)methanesulfonamide (PubChem CID 70645082) has the molecular formula C8H8N2O2S2 and a molecular weight of 228.30 g/mol. Its IUPAC name is N-(1,2-benzothiazol-6-yl)methanesulfonamide.

Molecular Properties

Compound NameN-(1,2-benzothiazol-6-yl)methanesulfonamide
PubChem CID70645082
Molecular FormulaC8H8N2O2S2
Molecular Weight228.30 g/mol
Exact Mass228.00
IUPAC NameN-(1,2-benzothiazol-6-yl)methanesulfonamide
SMILESCS(=O)(=O)Nc1ccc2cnsc2c1
InChIInChI=1S/C8H8N2O2S2/c1-14(11,12)10-7-3-2-6-5-9-13-8(6)4-7/h2-5,10H,1H3
InChIKeyALOIQNMUGNJZOE-UHFFFAOYSA-N
XLogP1.67
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.30
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1,2-benzothiazol-6-yl)methanesulfonamide?
The IUPAC name of N-(1,2-benzothiazol-6-yl)methanesulfonamide (CID 70645082) is N-(1,2-benzothiazol-6-yl)methanesulfonamide.
What is the SMILES notation for N-(1,2-benzothiazol-6-yl)methanesulfonamide?
The canonical SMILES for N-(1,2-benzothiazol-6-yl)methanesulfonamide is CS(=O)(=O)Nc1ccc2cnsc2c1.
What is the InChIKey of N-(1,2-benzothiazol-6-yl)methanesulfonamide?
The InChIKey is ALOIQNMUGNJZOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2O2S2/c1-14(11,12)10-7-3-2-6-5-9-13-8(6)4-7/h2-5,10H,1H3.
What are the key properties of N-(1,2-benzothiazol-6-yl)methanesulfonamide?
N-(1,2-benzothiazol-6-yl)methanesulfonamide has a molecular weight of 228.30 g/mol, XLogP of 1.67, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2-benzothiazol-6-yl)methanesulfonamide is sourced from PubChem (CID 70645082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).