4-bromo-N-(oxolan-3-ylsulfonyl)benzamide

C11H12BrNO4S — CID 154780941

IUPAC4-bromo-N-(oxolan-3-ylsulfonyl)benzamide
SMILESO=C(NS(=O)(=O)C1CCOC1)c1ccc(Br)cc1
InChIInChI=1S/C11H12BrNO4S/c12-9-3-1-8(2-4-9)11(14)13-18(15,16)10-5-6-17-7-10/h1-4,10H,5-7H2,(H,13,14)
InChIKeyXDNXDQVRBCCRRQ-UHFFFAOYSA-N
MW334.19 g/mol
LogP1.30
Rot. Bonds3

About 4-bromo-N-(oxolan-3-ylsulfonyl)benzamide

4-bromo-N-(oxolan-3-ylsulfonyl)benzamide (PubChem CID 154780941) has the molecular formula C11H12BrNO4S and a molecular weight of 334.19 g/mol. Its IUPAC name is 4-bromo-N-(oxolan-3-ylsulfonyl)benzamide.

Molecular Properties

Compound Name4-bromo-N-(oxolan-3-ylsulfonyl)benzamide
PubChem CID154780941
Molecular FormulaC11H12BrNO4S
Molecular Weight334.19 g/mol
Exact Mass332.97
IUPAC Name4-bromo-N-(oxolan-3-ylsulfonyl)benzamide
SMILESO=C(NS(=O)(=O)C1CCOC1)c1ccc(Br)cc1
InChIInChI=1S/C11H12BrNO4S/c12-9-3-1-8(2-4-9)11(14)13-18(15,16)10-5-6-17-7-10/h1-4,10H,5-7H2,(H,13,14)
InChIKeyXDNXDQVRBCCRRQ-UHFFFAOYSA-N
XLogP1.30
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.19
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(oxan-4-ylsulfonyl)benzamide
CID 47479884
5-chloro-N-(oxolan-3-ylsulfonyl)thiophene-3-carboxamide
CID 136534838
3-bromo-N-cyclopropylsulfonylbenzamide
CID 137332040
2-ethyl-4-methyl-N-(oxolan-3-ylsulfonyl)-1,3-oxazole-5-carboxamide
CID 154789759
(3S)-oxolane-3-sulfonic acid
CID 151710513
N-[(3S)-oxolan-3-yl]sulfonyl-2-[1-[4-(trifluoromethyl)phenyl]cyclopropyl]acetamide
CID 167854616
3-cyclopropyl-5-methyl-N-(oxolan-3-ylsulfonyl)imidazo[1,5-a]pyridine-6-carboxamide
CID 167834575
3-cyclobutyl-N-(oxolan-3-ylsulfonyl)propanamide
CID 136513042
oxolane-3-sulfonic acid;hydrochloride
CID 174788312
4-bromo-N-[1-(oxan-4-yl)pyrazol-4-yl]benzamide
CID 90597657
2-(cyclopentylmethoxy)-N-(oxolan-3-ylsulfonyl)-2-phenylacetamide
CID 167851430
3-(2-bromo-5-iodophenyl)sulfonyloxolane
CID 156832385

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(oxolan-3-ylsulfonyl)benzamide?
The IUPAC name of 4-bromo-N-(oxolan-3-ylsulfonyl)benzamide (CID 154780941) is 4-bromo-N-(oxolan-3-ylsulfonyl)benzamide.
What is the SMILES notation for 4-bromo-N-(oxolan-3-ylsulfonyl)benzamide?
The canonical SMILES for 4-bromo-N-(oxolan-3-ylsulfonyl)benzamide is O=C(NS(=O)(=O)C1CCOC1)c1ccc(Br)cc1.
What is the InChIKey of 4-bromo-N-(oxolan-3-ylsulfonyl)benzamide?
The InChIKey is XDNXDQVRBCCRRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrNO4S/c12-9-3-1-8(2-4-9)11(14)13-18(15,16)10-5-6-17-7-10/h1-4,10H,5-7H2,(H,13,14).
What are the key properties of 4-bromo-N-(oxolan-3-ylsulfonyl)benzamide?
4-bromo-N-(oxolan-3-ylsulfonyl)benzamide has a molecular weight of 334.19 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-(oxolan-3-ylsulfonyl)benzamide is sourced from PubChem (CID 154780941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).