N-(6-chloro-1,3-benzothiazol-2-yl)cyclopropanesulfonamide

C10H9ClN2O2S2 — CID 108782575

IUPACN-(6-chloro-1,3-benzothiazol-2-yl)cyclopropanesulfonamide
SMILESO=S(=O)(Nc1nc2ccc(Cl)cc2s1)C1CC1
InChIInChI=1S/C10H9ClN2O2S2/c11-6-1-4-8-9(5-6)16-10(12-8)13-17(14,15)7-2-3-7/h1,4-5,7H,2-3H2,(H,12,13)
InChIKeyCLBFFAWFSYXGDV-UHFFFAOYSA-N
MW288.78 g/mol
LogP2.85
Rot. Bonds3

About N-(6-chloro-1,3-benzothiazol-2-yl)cyclopropanesulfonamide

N-(6-chloro-1,3-benzothiazol-2-yl)cyclopropanesulfonamide (PubChem CID 108782575) has the molecular formula C10H9ClN2O2S2 and a molecular weight of 288.78 g/mol. Its IUPAC name is N-(6-chloro-1,3-benzothiazol-2-yl)cyclopropanesulfonamide.

Molecular Properties

Compound NameN-(6-chloro-1,3-benzothiazol-2-yl)cyclopropanesulfonamide
PubChem CID108782575
Molecular FormulaC10H9ClN2O2S2
Molecular Weight288.78 g/mol
Exact Mass287.98
IUPAC NameN-(6-chloro-1,3-benzothiazol-2-yl)cyclopropanesulfonamide
SMILESO=S(=O)(Nc1nc2ccc(Cl)cc2s1)C1CC1
InChIInChI=1S/C10H9ClN2O2S2/c11-6-1-4-8-9(5-6)16-10(12-8)13-17(14,15)7-2-3-7/h1,4-5,7H,2-3H2,(H,12,13)
InChIKeyCLBFFAWFSYXGDV-UHFFFAOYSA-N
XLogP2.85
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.78
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(cyclopropylsulfonylamino)-1,3-benzothiazole-6-carboxylic acid
CID 65348399
2-chloro-N-(6-chloro-1,3-benzothiazol-2-yl)pyrimidine-5-sulfonamide
CID 43456406
6-chloro-N-cyclobutyl-1,3-benzothiazol-2-amine
CID 79525447
N-(6-chloro-1,3-benzothiazol-2-yl)cyclobutanecarboxamide
CID 836745
2-[(6-chloro-1,3-benzothiazol-2-yl)sulfamoyl]propanoic acid
CID 61454607
6-chloro-N-methyl-1,3-benzothiazol-2-amine
CID 10774358
6-chloro-N-(2-cyclopropylpropan-2-yl)-1,3-benzothiazol-2-amine
CID 114111762
6-chloro-N-(cyclopentylmethyl)-1,3-benzothiazol-2-amine
CID 79528936
6-chloro-N-(cyclobutylmethyl)-1,3-benzothiazol-2-amine
CID 79528767
6-chloro-N-[(1-cyclopropylcyclopropyl)methyl]-1,3-benzothiazol-2-amine
CID 114096567
6-chloro-N-(2,2-dicyclopropylethyl)-1,3-benzothiazol-2-amine
CID 79525165
6-chloro-N-(4-chlorophenyl)-1,3-benzothiazol-2-amine
CID 5044430

Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-1,3-benzothiazol-2-yl)cyclopropanesulfonamide?
The IUPAC name of N-(6-chloro-1,3-benzothiazol-2-yl)cyclopropanesulfonamide (CID 108782575) is N-(6-chloro-1,3-benzothiazol-2-yl)cyclopropanesulfonamide.
What is the SMILES notation for N-(6-chloro-1,3-benzothiazol-2-yl)cyclopropanesulfonamide?
The canonical SMILES for N-(6-chloro-1,3-benzothiazol-2-yl)cyclopropanesulfonamide is O=S(=O)(Nc1nc2ccc(Cl)cc2s1)C1CC1.
What is the InChIKey of N-(6-chloro-1,3-benzothiazol-2-yl)cyclopropanesulfonamide?
The InChIKey is CLBFFAWFSYXGDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN2O2S2/c11-6-1-4-8-9(5-6)16-10(12-8)13-17(14,15)7-2-3-7/h1,4-5,7H,2-3H2,(H,12,13).
What are the key properties of N-(6-chloro-1,3-benzothiazol-2-yl)cyclopropanesulfonamide?
N-(6-chloro-1,3-benzothiazol-2-yl)cyclopropanesulfonamide has a molecular weight of 288.78 g/mol, XLogP of 2.85, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloro-1,3-benzothiazol-2-yl)cyclopropanesulfonamide is sourced from PubChem (CID 108782575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).