2-amino-N-(1,1-dioxothiolan-3-yl)-4-methylbenzenesulfonamide

C11H16N2O4S2 — CID 43258077

IUPAC2-amino-N-(1,1-dioxothiolan-3-yl)-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NC2CCS(=O)(=O)C2)c(N)c1
InChIInChI=1S/C11H16N2O4S2/c1-8-2-3-11(10(12)6-8)19(16,17)13-9-4-5-18(14,15)7-9/h2-3,6,9,13H,4-5,7,12H2,1H3
InChIKeyOSFVGEJRCCFCKY-UHFFFAOYSA-N
MW304.39 g/mol
LogP0.04
Rot. Bonds3

About 2-amino-N-(1,1-dioxothiolan-3-yl)-4-methylbenzenesulfonamide

2-amino-N-(1,1-dioxothiolan-3-yl)-4-methylbenzenesulfonamide (PubChem CID 43258077) has the molecular formula C11H16N2O4S2 and a molecular weight of 304.39 g/mol. Its IUPAC name is 2-amino-N-(1,1-dioxothiolan-3-yl)-4-methylbenzenesulfonamide.

Molecular Properties

Compound Name2-amino-N-(1,1-dioxothiolan-3-yl)-4-methylbenzenesulfonamide
PubChem CID43258077
Molecular FormulaC11H16N2O4S2
Molecular Weight304.39 g/mol
Exact Mass304.06
IUPAC Name2-amino-N-(1,1-dioxothiolan-3-yl)-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NC2CCS(=O)(=O)C2)c(N)c1
InChIInChI=1S/C11H16N2O4S2/c1-8-2-3-11(10(12)6-8)19(16,17)13-9-4-5-18(14,15)7-9/h2-3,6,9,13H,4-5,7,12H2,1H3
InChIKeyOSFVGEJRCCFCKY-UHFFFAOYSA-N
XLogP0.04
TPSA106.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 50.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-amino-N-cyclobutyl-4-methylbenzenesulfonamide
CID 62414526
2-amino-N-[(1,1-dioxothiolan-3-yl)methyl]-4-methylbenzenesulfonamide
CID 61127648
N-(1,1-dioxothiolan-3-yl)-2,4,6-trimethylbenzenesulfonamide
CID 45154252
2-amino-N-[(1,1-dioxothiolan-2-yl)methyl]-4-methylbenzenesulfonamide
CID 81038747
3-amino-5-bromo-N-(1,1-dioxothian-3-yl)-2-methylbenzenesulfonamide
CID 114379675
4-cyclopentyloxy-N-(1,1-dioxothiolan-3-yl)-2-methylbenzenesulfonamide
CID 110300905
N-(1,1-dioxothiolan-3-yl)-2,5-difluorobenzenesulfonamide
CID 110757609
N-(1,1-dioxothiolan-3-yl)-2-hydrazinylbenzenesulfonamide
CID 43454796
N-(1,1-dioxothiolan-3-yl)-4-fluoro-2,6-dimethylbenzenesulfonamide
CID 107326575
5-amino-4-bromo-N-(1,1-dioxothian-4-yl)-2-methylbenzenesulfonamide
CID 114625209
N-(1,1-dioxothiolan-3-yl)-2-fluoro-4-(methylaminomethyl)benzenesulfonamide
CID 106059854
2-amino-N-(2-hydroxycyclohexyl)-4-methylbenzenesulfonamide
CID 55063930

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(1,1-dioxothiolan-3-yl)-4-methylbenzenesulfonamide?
The IUPAC name of 2-amino-N-(1,1-dioxothiolan-3-yl)-4-methylbenzenesulfonamide (CID 43258077) is 2-amino-N-(1,1-dioxothiolan-3-yl)-4-methylbenzenesulfonamide.
What is the SMILES notation for 2-amino-N-(1,1-dioxothiolan-3-yl)-4-methylbenzenesulfonamide?
The canonical SMILES for 2-amino-N-(1,1-dioxothiolan-3-yl)-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)NC2CCS(=O)(=O)C2)c(N)c1.
What is the InChIKey of 2-amino-N-(1,1-dioxothiolan-3-yl)-4-methylbenzenesulfonamide?
The InChIKey is OSFVGEJRCCFCKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O4S2/c1-8-2-3-11(10(12)6-8)19(16,17)13-9-4-5-18(14,15)7-9/h2-3,6,9,13H,4-5,7,12H2,1H3.
What are the key properties of 2-amino-N-(1,1-dioxothiolan-3-yl)-4-methylbenzenesulfonamide?
2-amino-N-(1,1-dioxothiolan-3-yl)-4-methylbenzenesulfonamide has a molecular weight of 304.39 g/mol, XLogP of 0.04, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(1,1-dioxothiolan-3-yl)-4-methylbenzenesulfonamide is sourced from PubChem (CID 43258077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).