N-(1,3-benzothiazol-2-yl)ethanesulfonamide

C9H10N2O2S2 — CID 1228177

IUPACN-(1,3-benzothiazol-2-yl)ethanesulfonamide
SMILESCCS(=O)(=O)Nc1nc2ccccc2s1
InChIInChI=1S/C9H10N2O2S2/c1-2-15(12,13)11-9-10-7-5-3-4-6-8(7)14-9/h3-6H,2H2,1H3,(H,10,11)
InChIKeyVMYXMTQZJSDMAY-UHFFFAOYSA-N
MW242.32 g/mol
LogP2.06
Rot. Bonds3

About N-(1,3-benzothiazol-2-yl)ethanesulfonamide

N-(1,3-benzothiazol-2-yl)ethanesulfonamide (PubChem CID 1228177) has the molecular formula C9H10N2O2S2 and a molecular weight of 242.32 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-yl)ethanesulfonamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-yl)ethanesulfonamide
PubChem CID1228177
Molecular FormulaC9H10N2O2S2
Molecular Weight242.32 g/mol
Exact Mass242.02
IUPAC NameN-(1,3-benzothiazol-2-yl)ethanesulfonamide
SMILESCCS(=O)(=O)Nc1nc2ccccc2s1
InChIInChI=1S/C9H10N2O2S2/c1-2-15(12,13)11-9-10-7-5-3-4-6-8(7)14-9/h3-6H,2H2,1H3,(H,10,11)
InChIKeyVMYXMTQZJSDMAY-UHFFFAOYSA-N
XLogP2.06
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1,3-benzothiazol-2-yl)propane-1-sulfonamide
CID 60640584
2-(1,3-benzothiazol-2-ylsulfamoyl)acetic acid
CID 28774217
2-amino-N-(1,3-benzothiazol-2-yl)ethanesulfonamide
CID 24710948
N-(1,3-benzothiazol-2-yl)-1-(2-chlorophenyl)methanesulfonamide
CID 17257540
N-(1,3-benzothiazol-2-yl)-5-chlorothiophene-2-sulfonamide
CID 893880
1-[2-[(1,3-benzothiazol-2-ylamino)methyl]phenyl]-N-methylmethanesulfonamide
CID 47015531
N-butan-2-yl-1,3-benzothiazol-2-amine
CID 591708
N-(1,3-benzothiazol-2-yl)-5-bromo-2-methylbenzenesulfonamide
CID 60661212
N-(1,3-benzothiazol-2-yl)-4-chloro-2,5-dimethylbenzenesulfonamide
CID 19683407
N-(1,3-benzothiazol-2-yl)-2-chloro-1,3-thiazole-5-sulfonamide
CID 43455882
N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)propane-1-sulfonamide
CID 110757005
N-(1,3-benzothiazol-2-ylmethyl)methanesulfonamide
CID 60681450

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-yl)ethanesulfonamide?
The IUPAC name of N-(1,3-benzothiazol-2-yl)ethanesulfonamide (CID 1228177) is N-(1,3-benzothiazol-2-yl)ethanesulfonamide.
What is the SMILES notation for N-(1,3-benzothiazol-2-yl)ethanesulfonamide?
The canonical SMILES for N-(1,3-benzothiazol-2-yl)ethanesulfonamide is CCS(=O)(=O)Nc1nc2ccccc2s1.
What is the InChIKey of N-(1,3-benzothiazol-2-yl)ethanesulfonamide?
The InChIKey is VMYXMTQZJSDMAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O2S2/c1-2-15(12,13)11-9-10-7-5-3-4-6-8(7)14-9/h3-6H,2H2,1H3,(H,10,11).
What are the key properties of N-(1,3-benzothiazol-2-yl)ethanesulfonamide?
N-(1,3-benzothiazol-2-yl)ethanesulfonamide has a molecular weight of 242.32 g/mol, XLogP of 2.06, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-2-yl)ethanesulfonamide is sourced from PubChem (CID 1228177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).