4-bromo-N-(1,1-dioxothian-4-yl)benzenesulfonamide

C11H14BrNO4S2 — CID 59744414

IUPAC4-bromo-N-(1,1-dioxothian-4-yl)benzenesulfonamide
SMILESO=S1(=O)CCC(NS(=O)(=O)c2ccc(Br)cc2)CC1
InChIInChI=1S/C11H14BrNO4S2/c12-9-1-3-11(4-2-9)19(16,17)13-10-5-7-18(14,15)8-6-10/h1-4,10,13H,5-8H2
InChIKeyRWUZLOOWOWIXLB-UHFFFAOYSA-N
MW368.27 g/mol
LogP1.30
Rot. Bonds3

About 4-bromo-N-(1,1-dioxothian-4-yl)benzenesulfonamide

4-bromo-N-(1,1-dioxothian-4-yl)benzenesulfonamide (PubChem CID 59744414) has the molecular formula C11H14BrNO4S2 and a molecular weight of 368.27 g/mol. Its IUPAC name is 4-bromo-N-(1,1-dioxothian-4-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-bromo-N-(1,1-dioxothian-4-yl)benzenesulfonamide
PubChem CID59744414
Molecular FormulaC11H14BrNO4S2
Molecular Weight368.27 g/mol
Exact Mass366.95
IUPAC Name4-bromo-N-(1,1-dioxothian-4-yl)benzenesulfonamide
SMILESO=S1(=O)CCC(NS(=O)(=O)c2ccc(Br)cc2)CC1
InChIInChI=1S/C11H14BrNO4S2/c12-9-1-3-11(4-2-9)19(16,17)13-10-5-7-18(14,15)8-6-10/h1-4,10,13H,5-8H2
InChIKeyRWUZLOOWOWIXLB-UHFFFAOYSA-N
XLogP1.30
TPSA80.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.27
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3S)-1,1-dioxothiolan-3-yl]benzenesulfonamide
CID 2407943
4-bromo-N-(3-methylcyclopentyl)benzenesulfonamide
CID 114545225
4-bromo-N-(3,4-dimethylcyclohexyl)benzenesulfonamide
CID 64741660
4-(cyclopropylsulfamoyl)-N-(1,1-dioxothiolan-3-yl)benzamide
CID 109058398
4-[(1,1-dioxothiolan-3-yl)sulfamoyl]benzoic acid
CID 2858778
4-bromo-N-(6-oxopiperidin-3-yl)benzenesulfonamide
CID 62490790
2-[4-[(4-bromophenyl)sulfonylamino]piperidin-1-yl]acetamide
CID 60707706
2-bromo-N-(1,1-dioxothian-4-yl)-4,6-difluorobenzenesulfonamide
CID 60824231
ethyl 4-[(1,1-dioxothiolan-3-yl)sulfamoyl]benzoate
CID 25035168
5-cyano-N-(1,1-dioxothian-4-yl)thiophene-2-sulfonamide
CID 106267400
3-(4-bromophenyl)sulfonyl-N-cyclohexylbenzenesulfonamide
CID 1356174
4-(bromomethyl)-N-cyclopropylbenzenesulfonamide
CID 65482176

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(1,1-dioxothian-4-yl)benzenesulfonamide?
The IUPAC name of 4-bromo-N-(1,1-dioxothian-4-yl)benzenesulfonamide (CID 59744414) is 4-bromo-N-(1,1-dioxothian-4-yl)benzenesulfonamide.
What is the SMILES notation for 4-bromo-N-(1,1-dioxothian-4-yl)benzenesulfonamide?
The canonical SMILES for 4-bromo-N-(1,1-dioxothian-4-yl)benzenesulfonamide is O=S1(=O)CCC(NS(=O)(=O)c2ccc(Br)cc2)CC1.
What is the InChIKey of 4-bromo-N-(1,1-dioxothian-4-yl)benzenesulfonamide?
The InChIKey is RWUZLOOWOWIXLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrNO4S2/c12-9-1-3-11(4-2-9)19(16,17)13-10-5-7-18(14,15)8-6-10/h1-4,10,13H,5-8H2.
What are the key properties of 4-bromo-N-(1,1-dioxothian-4-yl)benzenesulfonamide?
4-bromo-N-(1,1-dioxothian-4-yl)benzenesulfonamide has a molecular weight of 368.27 g/mol, XLogP of 1.30, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(1,1-dioxothian-4-yl)benzenesulfonamide is sourced from PubChem (CID 59744414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).