4-[(1,1-dioxothian-3-yl)amino]benzenesulfonamide

C11H16N2O4S2 — CID 63908905

IUPAC4-[(1,1-dioxothian-3-yl)amino]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(NC2CCCS(=O)(=O)C2)cc1
InChIInChI=1S/C11H16N2O4S2/c12-19(16,17)11-5-3-9(4-6-11)13-10-2-1-7-18(14,15)8-10/h3-6,10,13H,1-2,7-8H2,(H2,12,16,17)
InChIKeyNLNDMXQIESDRRC-UHFFFAOYSA-N
MW304.39 g/mol
LogP0.32
Rot. Bonds3

About 4-[(1,1-dioxothian-3-yl)amino]benzenesulfonamide

4-[(1,1-dioxothian-3-yl)amino]benzenesulfonamide (PubChem CID 63908905) has the molecular formula C11H16N2O4S2 and a molecular weight of 304.39 g/mol. Its IUPAC name is 4-[(1,1-dioxothian-3-yl)amino]benzenesulfonamide.

Molecular Properties

Compound Name4-[(1,1-dioxothian-3-yl)amino]benzenesulfonamide
PubChem CID63908905
Molecular FormulaC11H16N2O4S2
Molecular Weight304.39 g/mol
Exact Mass304.06
IUPAC Name4-[(1,1-dioxothian-3-yl)amino]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(NC2CCCS(=O)(=O)C2)cc1
InChIInChI=1S/C11H16N2O4S2/c12-19(16,17)11-5-3-9(4-6-11)13-10-2-1-7-18(14,15)8-10/h3-6,10,13H,1-2,7-8H2,(H2,12,16,17)
InChIKeyNLNDMXQIESDRRC-UHFFFAOYSA-N
XLogP0.32
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 ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-fluorophenyl)-1,1-dioxothian-3-amine
CID 63910257
N-(4-methylsulfonylphenyl)-1,1-dioxothiolan-3-amine
CID 24693954
4-[(1,1-dioxothian-3-yl)amino]-2-fluorophenol
CID 64794825
1,1-dioxo-N-[4-(trifluoromethoxy)phenyl]thian-3-amine
CID 63909870
N-(4-bromo-3-nitrophenyl)-1,1-dioxothian-3-amine
CID 79767753
1,1-dioxo-N-(4-sulfamoylphenyl)thiolane-3-carboxamide
CID 60674860
N-(1,1-dioxothian-3-yl)quinoxalin-6-amine
CID 63923027
3-[(1,1-dioxothiolan-3-yl)amino]-4-methylbenzenesulfonamide
CID 55158540
2-amino-5-[(1,1-dioxothian-3-yl)amino]benzamide
CID 63924747
4-[(3-methoxycyclobutyl)amino]benzenesulfonamide
CID 106821257
methyl 2-[4-[(1,1-dioxothian-3-yl)amino]phenoxy]acetate
CID 63911633
1,1-dioxo-N-[4-(tetrazol-1-yl)phenyl]thian-3-amine
CID 63910839

Frequently Asked Questions

What is the IUPAC name of 4-[(1,1-dioxothian-3-yl)amino]benzenesulfonamide?
The IUPAC name of 4-[(1,1-dioxothian-3-yl)amino]benzenesulfonamide (CID 63908905) is 4-[(1,1-dioxothian-3-yl)amino]benzenesulfonamide.
What is the SMILES notation for 4-[(1,1-dioxothian-3-yl)amino]benzenesulfonamide?
The canonical SMILES for 4-[(1,1-dioxothian-3-yl)amino]benzenesulfonamide is NS(=O)(=O)c1ccc(NC2CCCS(=O)(=O)C2)cc1.
What is the InChIKey of 4-[(1,1-dioxothian-3-yl)amino]benzenesulfonamide?
The InChIKey is NLNDMXQIESDRRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O4S2/c12-19(16,17)11-5-3-9(4-6-11)13-10-2-1-7-18(14,15)8-10/h3-6,10,13H,1-2,7-8H2,(H2,12,16,17).
What are the key properties of 4-[(1,1-dioxothian-3-yl)amino]benzenesulfonamide?
4-[(1,1-dioxothian-3-yl)amino]benzenesulfonamide has a molecular weight of 304.39 g/mol, XLogP of 0.32, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1,1-dioxothian-3-yl)amino]benzenesulfonamide is sourced from PubChem (CID 63908905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).