N-[(3S)-1,1-dioxothiolan-3-yl]benzenesulfonamide

C10H13NO4S2 — CID 2407943

IUPACN-[(3S)-1,1-dioxothiolan-3-yl]benzenesulfonamide
SMILESO=S1(=O)CC[C@H](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/t9-/m0/s1
InChIKeyXTMOTIGEBLVQPG-VIFPVBQESA-N
MW275.35 g/mol
LogP0.15
Rot. Bonds3

About N-[(3S)-1,1-dioxothiolan-3-yl]benzenesulfonamide

N-[(3S)-1,1-dioxothiolan-3-yl]benzenesulfonamide (PubChem CID 2407943) has the molecular formula C10H13NO4S2 and a molecular weight of 275.35 g/mol. Its IUPAC name is N-[(3S)-1,1-dioxothiolan-3-yl]benzenesulfonamide.

Molecular Properties

Compound NameN-[(3S)-1,1-dioxothiolan-3-yl]benzenesulfonamide
PubChem CID2407943
Molecular FormulaC10H13NO4S2
Molecular Weight275.35 g/mol
Exact Mass275.03
IUPAC NameN-[(3S)-1,1-dioxothiolan-3-yl]benzenesulfonamide
SMILESO=S1(=O)CC[C@H](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/t9-/m0/s1
InChIKeyXTMOTIGEBLVQPG-VIFPVBQESA-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

4-[(1,1-dioxothiolan-3-yl)sulfamoyl]benzoic acid
CID 2858778
N-(benzhydrylideneamino)-4-[(1,1-dioxothiolan-3-yl)sulfamoyl]benzamide
CID 43036891
N-(1,1-dioxothiolan-3-yl)-3-(1-hydroxyethyl)benzenesulfonamide
CID 43507358
N-benzhydryl-3-[(1,1-dioxothiolan-3-yl)sulfamoyl]benzamide
CID 24536401
N-(1,1-dioxothiolan-3-yl)-2-hydrazinylbenzenesulfonamide
CID 43454796
N-cyclopentyl-4-[(1,1-dioxothiolan-3-yl)sulfamoyl]benzamide
CID 109059272
N-cyclopentyl-3-[(1,1-dioxothiolan-3-yl)sulfamoyl]benzamide
CID 109063223
N-[(3R)-1,1-dioxothiolan-3-yl]-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzenesulfonamide
CID 68632376
4-(cyclopropylsulfamoyl)-N-(1,1-dioxothiolan-3-yl)benzamide
CID 109058398
N-(1,1-dioxothiolan-3-yl)-2-(ethylamino)benzenesulfonamide
CID 62162999
4-bromo-N-(1,1-dioxothian-4-yl)benzenesulfonamide
CID 59744414
ethyl 4-[(1,1-dioxothiolan-3-yl)sulfamoyl]benzoate
CID 25035168

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1,1-dioxothiolan-3-yl]benzenesulfonamide?
The IUPAC name of N-[(3S)-1,1-dioxothiolan-3-yl]benzenesulfonamide (CID 2407943) is N-[(3S)-1,1-dioxothiolan-3-yl]benzenesulfonamide.
What is the SMILES notation for N-[(3S)-1,1-dioxothiolan-3-yl]benzenesulfonamide?
The canonical SMILES for N-[(3S)-1,1-dioxothiolan-3-yl]benzenesulfonamide is O=S1(=O)CC[C@H](NS(=O)(=O)c2ccccc2)C1.
What is the InChIKey of N-[(3S)-1,1-dioxothiolan-3-yl]benzenesulfonamide?
The InChIKey is XTMOTIGEBLVQPG-VIFPVBQESA-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/t9-/m0/s1.
What are the key properties of N-[(3S)-1,1-dioxothiolan-3-yl]benzenesulfonamide?
N-[(3S)-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-[(3S)-1,1-dioxothiolan-3-yl]benzenesulfonamide is sourced from PubChem (CID 2407943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).