N-[(3S)-1,1-dioxothiolan-3-yl]-N-methyl-2,1,3-benzothiadiazole-4-sulfonamide

C11H13N3O4S3 — CID 7044443

IUPACN-[(3S)-1,1-dioxothiolan-3-yl]-N-methyl-2,1,3-benzothiadiazole-4-sulfonamide
SMILESCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cccc2nsnc12
InChIInChI=1S/C11H13N3O4S3/c1-14(8-5-6-20(15,16)7-8)21(17,18)10-4-2-3-9-11(10)13-19-12-9/h2-4,8H,5-7H2,1H3/t8-/m0/s1
InChIKeyFGWBPWIWOCVDAN-QMMMGPOBSA-N
MW347.44 g/mol
LogP0.50
Rot. Bonds3

About N-[(3S)-1,1-dioxothiolan-3-yl]-N-methyl-2,1,3-benzothiadiazole-4-sulfonamide

N-[(3S)-1,1-dioxothiolan-3-yl]-N-methyl-2,1,3-benzothiadiazole-4-sulfonamide (PubChem CID 7044443) has the molecular formula C11H13N3O4S3 and a molecular weight of 347.44 g/mol. Its IUPAC name is N-[(3S)-1,1-dioxothiolan-3-yl]-N-methyl-2,1,3-benzothiadiazole-4-sulfonamide.

Molecular Properties

Compound NameN-[(3S)-1,1-dioxothiolan-3-yl]-N-methyl-2,1,3-benzothiadiazole-4-sulfonamide
PubChem CID7044443
Molecular FormulaC11H13N3O4S3
Molecular Weight347.44 g/mol
Exact Mass347.01
IUPAC NameN-[(3S)-1,1-dioxothiolan-3-yl]-N-methyl-2,1,3-benzothiadiazole-4-sulfonamide
SMILESCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cccc2nsnc12
InChIInChI=1S/C11H13N3O4S3/c1-14(8-5-6-20(15,16)7-8)21(17,18)10-4-2-3-9-11(10)13-19-12-9/h2-4,8H,5-7H2,1H3/t8-/m0/s1
InChIKeyFGWBPWIWOCVDAN-QMMMGPOBSA-N
XLogP0.50
TPSA97.30 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.44
LogP ≤ 50.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze N-[(3S)-1,1-dioxothiolan-3-yl]-N-methyl-2,1,3-benzothiadiazole-4-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(1,1-dioxothiolan-3-yl)-N-methyl-2-nitrobenzenesulfonamide
CID 3633991
N-[1-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperidin-4-yl]-N-methylmethanesulfonamide
CID 48737430
N-[(3S)-1,1-dioxothiolan-3-yl]-N,2,4-trimethylbenzenesulfonamide
CID 129370634
N-(1,1-dioxothiolan-3-yl)-5-fluoro-N,2-dimethylbenzenesulfonamide
CID 47190070
4-bromo-N-(1,1-dioxothiolan-3-yl)-N-methylbenzenesulfonamide
CID 47113368
N-(1,1-dioxothiolan-3-yl)-N-methyl-1H-pyrazole-5-sulfonamide
CID 102691826
2-amino-5-bromo-N-(1,1-dioxothiolan-3-yl)-N-methylbenzenesulfonamide
CID 60988461
N-(1,1-dioxothiolan-3-yl)-4-methoxy-N,2,3-trimethylbenzenesulfonamide
CID 110758610
2-amino-N-(1,1-dioxothiolan-3-yl)-4-fluoro-N-methylbenzenesulfonamide
CID 43648484
N-[(3R)-1,1-dioxothiolan-3-yl]-N-methyl-3-nitrobenzenesulfonamide
CID 7260394
sodium 2,1,3-benzothiadiazole-4-sulfonate
CID 70700530
N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropyl-2,1,3-benzothiadiazole-4-sulfonamide
CID 46633664

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1,1-dioxothiolan-3-yl]-N-methyl-2,1,3-benzothiadiazole-4-sulfonamide?
The IUPAC name of N-[(3S)-1,1-dioxothiolan-3-yl]-N-methyl-2,1,3-benzothiadiazole-4-sulfonamide (CID 7044443) is N-[(3S)-1,1-dioxothiolan-3-yl]-N-methyl-2,1,3-benzothiadiazole-4-sulfonamide.
What is the SMILES notation for N-[(3S)-1,1-dioxothiolan-3-yl]-N-methyl-2,1,3-benzothiadiazole-4-sulfonamide?
The canonical SMILES for N-[(3S)-1,1-dioxothiolan-3-yl]-N-methyl-2,1,3-benzothiadiazole-4-sulfonamide is CN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cccc2nsnc12.
What is the InChIKey of N-[(3S)-1,1-dioxothiolan-3-yl]-N-methyl-2,1,3-benzothiadiazole-4-sulfonamide?
The InChIKey is FGWBPWIWOCVDAN-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H13N3O4S3/c1-14(8-5-6-20(15,16)7-8)21(17,18)10-4-2-3-9-11(10)13-19-12-9/h2-4,8H,5-7H2,1H3/t8-/m0/s1.
What are the key properties of N-[(3S)-1,1-dioxothiolan-3-yl]-N-methyl-2,1,3-benzothiadiazole-4-sulfonamide?
N-[(3S)-1,1-dioxothiolan-3-yl]-N-methyl-2,1,3-benzothiadiazole-4-sulfonamide has a molecular weight of 347.44 g/mol, XLogP of 0.50, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1,1-dioxothiolan-3-yl]-N-methyl-2,1,3-benzothiadiazole-4-sulfonamide is sourced from PubChem (CID 7044443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).