4-bromo-2-chloro-N-(3-methyloxan-3-yl)benzenesulfonamide

C12H15BrClNO3S — CID 103896531

IUPAC4-bromo-2-chloro-N-(3-methyloxan-3-yl)benzenesulfonamide
SMILESCC1(NS(=O)(=O)c2ccc(Br)cc2Cl)CCCOC1
InChIInChI=1S/C12H15BrClNO3S/c1-12(5-2-6-18-8-12)15-19(16,17)11-4-3-9(13)7-10(11)14/h3-4,7,15H,2,5-6,8H2,1H3
InChIKeyVGRMWVKXJUJBMC-UHFFFAOYSA-N
MW368.68 g/mol
LogP2.95
Rot. Bonds3

About 4-bromo-2-chloro-N-(3-methyloxan-3-yl)benzenesulfonamide

4-bromo-2-chloro-N-(3-methyloxan-3-yl)benzenesulfonamide (PubChem CID 103896531) has the molecular formula C12H15BrClNO3S and a molecular weight of 368.68 g/mol. Its IUPAC name is 4-bromo-2-chloro-N-(3-methyloxan-3-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-bromo-2-chloro-N-(3-methyloxan-3-yl)benzenesulfonamide
PubChem CID103896531
Molecular FormulaC12H15BrClNO3S
Molecular Weight368.68 g/mol
Exact Mass366.96
IUPAC Name4-bromo-2-chloro-N-(3-methyloxan-3-yl)benzenesulfonamide
SMILESCC1(NS(=O)(=O)c2ccc(Br)cc2Cl)CCCOC1
InChIInChI=1S/C12H15BrClNO3S/c1-12(5-2-6-18-8-12)15-19(16,17)11-4-3-9(13)7-10(11)14/h3-4,7,15H,2,5-6,8H2,1H3
InChIKeyVGRMWVKXJUJBMC-UHFFFAOYSA-N
XLogP2.95
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.68
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-chloro-N-(3-methyloxan-3-yl)benzenesulfonamide?
The IUPAC name of 4-bromo-2-chloro-N-(3-methyloxan-3-yl)benzenesulfonamide (CID 103896531) is 4-bromo-2-chloro-N-(3-methyloxan-3-yl)benzenesulfonamide.
What is the SMILES notation for 4-bromo-2-chloro-N-(3-methyloxan-3-yl)benzenesulfonamide?
The canonical SMILES for 4-bromo-2-chloro-N-(3-methyloxan-3-yl)benzenesulfonamide is CC1(NS(=O)(=O)c2ccc(Br)cc2Cl)CCCOC1.
What is the InChIKey of 4-bromo-2-chloro-N-(3-methyloxan-3-yl)benzenesulfonamide?
The InChIKey is VGRMWVKXJUJBMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrClNO3S/c1-12(5-2-6-18-8-12)15-19(16,17)11-4-3-9(13)7-10(11)14/h3-4,7,15H,2,5-6,8H2,1H3.
What are the key properties of 4-bromo-2-chloro-N-(3-methyloxan-3-yl)benzenesulfonamide?
4-bromo-2-chloro-N-(3-methyloxan-3-yl)benzenesulfonamide has a molecular weight of 368.68 g/mol, XLogP of 2.95, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-chloro-N-(3-methyloxan-3-yl)benzenesulfonamide is sourced from PubChem (CID 103896531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).