N-cyclopropyl-1-methyl-3-oxo-2,1-benzothiazole-5-sulfonamide

C11H12N2O3S2 — CID 2798315

IUPACN-cyclopropyl-1-methyl-3-oxo-2,1-benzothiazole-5-sulfonamide
SMILESCn1sc(=O)c2cc(S(=O)(=O)NC3CC3)ccc21
InChIInChI=1S/C11H12N2O3S2/c1-13-10-5-4-8(6-9(10)11(14)17-13)18(15,16)12-7-2-3-7/h4-7,12H,2-3H2,1H3
InChIKeyQFTYONXEHAAWFH-UHFFFAOYSA-N
MW284.36 g/mol
LogP1.04
Rot. Bonds3

About N-cyclopropyl-1-methyl-3-oxo-2,1-benzothiazole-5-sulfonamide

N-cyclopropyl-1-methyl-3-oxo-2,1-benzothiazole-5-sulfonamide (PubChem CID 2798315) has the molecular formula C11H12N2O3S2 and a molecular weight of 284.36 g/mol. Its IUPAC name is N-cyclopropyl-1-methyl-3-oxo-2,1-benzothiazole-5-sulfonamide.

Molecular Properties

Compound NameN-cyclopropyl-1-methyl-3-oxo-2,1-benzothiazole-5-sulfonamide
PubChem CID2798315
Molecular FormulaC11H12N2O3S2
Molecular Weight284.36 g/mol
Exact Mass284.03
IUPAC NameN-cyclopropyl-1-methyl-3-oxo-2,1-benzothiazole-5-sulfonamide
SMILESCn1sc(=O)c2cc(S(=O)(=O)NC3CC3)ccc21
InChIInChI=1S/C11H12N2O3S2/c1-13-10-5-4-8(6-9(10)11(14)17-13)18(15,16)12-7-2-3-7/h4-7,12H,2-3H2,1H3
InChIKeyQFTYONXEHAAWFH-UHFFFAOYSA-N
XLogP1.04
TPSA68.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-Methyl-3-Oxo-1,3-Dihydro-Benzo(C)Isothiazole-5-Sulfonic Acid Amide
CID 1387
2,3-dioxo-2,3-dihydro-1H-indole-5-sulfonamide
CID 12142411
1H-Indole-2,3-dione, 5-(1-azetidinylsulfonyl)-
CID 9903426
5-(Pyrrolidin-1-ylsulfonyl)indoline-2,3-dione
CID 4117381
5-(piperidin-1-ylsulfonyl)-1H-indole-2,3-dione
CID 4117383
1H-Indole-2,3-dione, 5-((4-methyl-1-piperidinyl)sulfonyl)-
CID 4117477
5-(Azepan-1-ylsulfonyl)-1H-indole-2,3-dione
CID 9839586
N-[4-(acetylsulfamoyl)phenyl]-3-(2,3-dihydroindol-1-ylsulfonyl)benzamide
CID 2449571
5-(N,N-Dimethylsulfamoyl)-N-phenyl-2-(pyrrolidin-1-yl)benzamide
CID 17453519
1-(2-fluorobenzene-1-carbonyl)-N-methyl-2,3-dihydro-1H-indole-5-sulfonamide
CID 51098268
5-(2-methylpiperidin-1-yl)sulfonyl-1H-indole-2,3-dione
CID 73056762
5-(3,5-dimethylpiperidin-1-yl)sulfonyl-1H-indole-2,3-dione
CID 76320984

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-1-methyl-3-oxo-2,1-benzothiazole-5-sulfonamide?
The IUPAC name of N-cyclopropyl-1-methyl-3-oxo-2,1-benzothiazole-5-sulfonamide (CID 2798315) is N-cyclopropyl-1-methyl-3-oxo-2,1-benzothiazole-5-sulfonamide.
What is the SMILES notation for N-cyclopropyl-1-methyl-3-oxo-2,1-benzothiazole-5-sulfonamide?
The canonical SMILES for N-cyclopropyl-1-methyl-3-oxo-2,1-benzothiazole-5-sulfonamide is Cn1sc(=O)c2cc(S(=O)(=O)NC3CC3)ccc21.
What is the InChIKey of N-cyclopropyl-1-methyl-3-oxo-2,1-benzothiazole-5-sulfonamide?
The InChIKey is QFTYONXEHAAWFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O3S2/c1-13-10-5-4-8(6-9(10)11(14)17-13)18(15,16)12-7-2-3-7/h4-7,12H,2-3H2,1H3.
What are the key properties of N-cyclopropyl-1-methyl-3-oxo-2,1-benzothiazole-5-sulfonamide?
N-cyclopropyl-1-methyl-3-oxo-2,1-benzothiazole-5-sulfonamide has a molecular weight of 284.36 g/mol, XLogP of 1.04, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-1-methyl-3-oxo-2,1-benzothiazole-5-sulfonamide is sourced from PubChem (CID 2798315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).