N-(1,1-dioxothiolan-3-yl)benzenesulfonamide

C10H13NO4S2 — CID 2906106

IUPACN-(1,1-dioxothiolan-3-yl)benzenesulfonamide
SMILESO=S1(=O)CCC(NS(=O)(=O)c2ccccc2)C1
InChIInChI=1S/C10H13NO4S2/c12-16(13)7-6-9(8-16)11-17(14,15)10-4-2-1-3-5-10/h1-5,9,11H,6-8H2
InChIKeyXTMOTIGEBLVQPG-UHFFFAOYSA-N
MW275.35 g/mol
LogP0.15
Rot. Bonds3

About N-(1,1-dioxothiolan-3-yl)benzenesulfonamide

N-(1,1-dioxothiolan-3-yl)benzenesulfonamide (PubChem CID 2906106) has the molecular formula C10H13NO4S2 and a molecular weight of 275.35 g/mol. Its IUPAC name is N-(1,1-dioxothiolan-3-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-(1,1-dioxothiolan-3-yl)benzenesulfonamide
PubChem CID2906106
Molecular FormulaC10H13NO4S2
Molecular Weight275.35 g/mol
Exact Mass275.03
IUPAC NameN-(1,1-dioxothiolan-3-yl)benzenesulfonamide
SMILESO=S1(=O)CCC(NS(=O)(=O)c2ccccc2)C1
InChIInChI=1S/C10H13NO4S2/c12-16(13)7-6-9(8-16)11-17(14,15)10-4-2-1-3-5-10/h1-5,9,11H,6-8H2
InChIKeyXTMOTIGEBLVQPG-UHFFFAOYSA-N
XLogP0.15
TPSA80.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 50.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(Benzenesulfonyl)ethan-1-amine
CID 3545497
3-(Benzenesulfonyl)propan-1-amine
CID 5007910
4-butyl-N-(1,1-dioxothiolan-3-yl)benzenesulfonamide
CID 2810896
3-[Methyl(phenylsulfonyl)amino]thiolane-1,1-dione
CID 3152342
N-cyclopropyl-4-(methylsulfanyl)benzenesulfonamide
CID 2222291
N-cyclopropylbenzenesulfonamide
CID 4465098
N-(1-Methylpropyl)benzenesulfonamide
CID 211877
N-[2-(tert-butylthio)ethyl]-4-(methylthio)benzenesulfonamide
CID 2231398
4-fluoro-N-[2-(phenylsulfanyl)ethyl]benzenesulfonamide
CID 2276062
N-(2-tert-butylsulfanylethyl)benzenesulfonamide
CID 2277133
(E)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-2-phenylethenesulfonamide
CID 5722931
N-(2-phenylsulfonylethyl)-2-propanamine
CID 13655034

Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothiolan-3-yl)benzenesulfonamide?
The IUPAC name of N-(1,1-dioxothiolan-3-yl)benzenesulfonamide (CID 2906106) is N-(1,1-dioxothiolan-3-yl)benzenesulfonamide.
What is the SMILES notation for N-(1,1-dioxothiolan-3-yl)benzenesulfonamide?
The canonical SMILES for N-(1,1-dioxothiolan-3-yl)benzenesulfonamide is O=S1(=O)CCC(NS(=O)(=O)c2ccccc2)C1.
What is the InChIKey of N-(1,1-dioxothiolan-3-yl)benzenesulfonamide?
The InChIKey is XTMOTIGEBLVQPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO4S2/c12-16(13)7-6-9(8-16)11-17(14,15)10-4-2-1-3-5-10/h1-5,9,11H,6-8H2.
What are the key properties of N-(1,1-dioxothiolan-3-yl)benzenesulfonamide?
N-(1,1-dioxothiolan-3-yl)benzenesulfonamide has a molecular weight of 275.35 g/mol, XLogP of 0.15, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxothiolan-3-yl)benzenesulfonamide is sourced from PubChem (CID 2906106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).