3-[(1,1-dioxothiolan-3-yl)amino]-4-methylbenzenesulfonamide

C11H16N2O4S2 — CID 55158540

IUPAC3-[(1,1-dioxothiolan-3-yl)amino]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(N)(=O)=O)cc1NC1CCS(=O)(=O)C1
InChIInChI=1S/C11H16N2O4S2/c1-8-2-3-10(19(12,16)17)6-11(8)13-9-4-5-18(14,15)7-9/h2-3,6,9,13H,4-5,7H2,1H3,(H2,12,16,17)
InChIKeyHYBJQSVYAQFPOZ-UHFFFAOYSA-N
MW304.39 g/mol
LogP0.24
Rot. Bonds3

About 3-[(1,1-dioxothiolan-3-yl)amino]-4-methylbenzenesulfonamide

3-[(1,1-dioxothiolan-3-yl)amino]-4-methylbenzenesulfonamide (PubChem CID 55158540) has the molecular formula C11H16N2O4S2 and a molecular weight of 304.39 g/mol. Its IUPAC name is 3-[(1,1-dioxothiolan-3-yl)amino]-4-methylbenzenesulfonamide.

Molecular Properties

Compound Name3-[(1,1-dioxothiolan-3-yl)amino]-4-methylbenzenesulfonamide
PubChem CID55158540
Molecular FormulaC11H16N2O4S2
Molecular Weight304.39 g/mol
Exact Mass304.06
IUPAC Name3-[(1,1-dioxothiolan-3-yl)amino]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(N)(=O)=O)cc1NC1CCS(=O)(=O)C1
InChIInChI=1S/C11H16N2O4S2/c1-8-2-3-10(19(12,16)17)6-11(8)13-9-4-5-18(14,15)7-9/h2-3,6,9,13H,4-5,7H2,1H3,(H2,12,16,17)
InChIKeyHYBJQSVYAQFPOZ-UHFFFAOYSA-N
XLogP0.24
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 ≤ 50.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-3-[(1,1-dioxothian-4-yl)amino]benzenesulfonamide
CID 82907239
4-methyl-3-[(1-oxothian-4-yl)amino]benzenesulfonamide
CID 54981628
4-chloro-3-[(1,1-dioxothian-4-yl)amino]benzenesulfonamide
CID 43745911
3-[(3,5-dimethylcyclohexyl)amino]-4-methylbenzenesulfonamide
CID 64753179
N-[3-[(1,1-dioxothiolan-3-yl)amino]-4-methylphenyl]acetamide
CID 63162861
methyl 3-[(1,1-dioxothiolan-3-yl)amino]-4-methylbenzoate
CID 60708633
4-methyl-3-(thian-3-ylamino)benzenesulfonamide
CID 55129972
4-(2-methyl-5-sulfamoylanilino)piperidine-1-carboxamide
CID 43790791
3-N-(1,1-dioxothian-4-yl)-4-methylbenzene-1,3-diamine
CID 55091795
4-[(1,1-dioxothian-3-yl)amino]benzenesulfonamide
CID 63908905
N-(4-methylsulfonylphenyl)-1,1-dioxothiolan-3-amine
CID 24693954
4-[(1,1-dioxothiolan-3-yl)amino]-3-methylbenzenecarbothioamide
CID 54934335

Frequently Asked Questions

What is the IUPAC name of 3-[(1,1-dioxothiolan-3-yl)amino]-4-methylbenzenesulfonamide?
The IUPAC name of 3-[(1,1-dioxothiolan-3-yl)amino]-4-methylbenzenesulfonamide (CID 55158540) is 3-[(1,1-dioxothiolan-3-yl)amino]-4-methylbenzenesulfonamide.
What is the SMILES notation for 3-[(1,1-dioxothiolan-3-yl)amino]-4-methylbenzenesulfonamide?
The canonical SMILES for 3-[(1,1-dioxothiolan-3-yl)amino]-4-methylbenzenesulfonamide is Cc1ccc(S(N)(=O)=O)cc1NC1CCS(=O)(=O)C1.
What is the InChIKey of 3-[(1,1-dioxothiolan-3-yl)amino]-4-methylbenzenesulfonamide?
The InChIKey is HYBJQSVYAQFPOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O4S2/c1-8-2-3-10(19(12,16)17)6-11(8)13-9-4-5-18(14,15)7-9/h2-3,6,9,13H,4-5,7H2,1H3,(H2,12,16,17).
What are the key properties of 3-[(1,1-dioxothiolan-3-yl)amino]-4-methylbenzenesulfonamide?
3-[(1,1-dioxothiolan-3-yl)amino]-4-methylbenzenesulfonamide has a molecular weight of 304.39 g/mol, XLogP of 0.24, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1,1-dioxothiolan-3-yl)amino]-4-methylbenzenesulfonamide is sourced from PubChem (CID 55158540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).