4-bromo-2,6-dichloro-N-(1-cyclopropylbutan-2-yl)benzenesulfonamide

C13H16BrCl2NO2S — CID 63994006

IUPAC4-bromo-2,6-dichloro-N-(1-cyclopropylbutan-2-yl)benzenesulfonamide
SMILESCCC(CC1CC1)NS(=O)(=O)c1c(Cl)cc(Br)cc1Cl
InChIInChI=1S/C13H16BrCl2NO2S/c1-2-10(5-8-3-4-8)17-20(18,19)13-11(15)6-9(14)7-12(13)16/h6-8,10,17H,2-5H2,1H3
InChIKeyQQQSYZXNKOGVOR-UHFFFAOYSA-N
MW401.15 g/mol
LogP4.61
Rot. Bonds6

About 4-bromo-2,6-dichloro-N-(1-cyclopropylbutan-2-yl)benzenesulfonamide

4-bromo-2,6-dichloro-N-(1-cyclopropylbutan-2-yl)benzenesulfonamide (PubChem CID 63994006) has the molecular formula C13H16BrCl2NO2S and a molecular weight of 401.15 g/mol. Its IUPAC name is 4-bromo-2,6-dichloro-N-(1-cyclopropylbutan-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-bromo-2,6-dichloro-N-(1-cyclopropylbutan-2-yl)benzenesulfonamide
PubChem CID63994006
Molecular FormulaC13H16BrCl2NO2S
Molecular Weight401.15 g/mol
Exact Mass398.95
IUPAC Name4-bromo-2,6-dichloro-N-(1-cyclopropylbutan-2-yl)benzenesulfonamide
SMILESCCC(CC1CC1)NS(=O)(=O)c1c(Cl)cc(Br)cc1Cl
InChIInChI=1S/C13H16BrCl2NO2S/c1-2-10(5-8-3-4-8)17-20(18,19)13-11(15)6-9(14)7-12(13)16/h6-8,10,17H,2-5H2,1H3
InChIKeyQQQSYZXNKOGVOR-UHFFFAOYSA-N
XLogP4.61
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.15
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-2,6-dichloro-N-(1-cyclopropylbutan-2-yl)benzenesulfonamide?
The IUPAC name of 4-bromo-2,6-dichloro-N-(1-cyclopropylbutan-2-yl)benzenesulfonamide (CID 63994006) is 4-bromo-2,6-dichloro-N-(1-cyclopropylbutan-2-yl)benzenesulfonamide.
What is the SMILES notation for 4-bromo-2,6-dichloro-N-(1-cyclopropylbutan-2-yl)benzenesulfonamide?
The canonical SMILES for 4-bromo-2,6-dichloro-N-(1-cyclopropylbutan-2-yl)benzenesulfonamide is CCC(CC1CC1)NS(=O)(=O)c1c(Cl)cc(Br)cc1Cl.
What is the InChIKey of 4-bromo-2,6-dichloro-N-(1-cyclopropylbutan-2-yl)benzenesulfonamide?
The InChIKey is QQQSYZXNKOGVOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrCl2NO2S/c1-2-10(5-8-3-4-8)17-20(18,19)13-11(15)6-9(14)7-12(13)16/h6-8,10,17H,2-5H2,1H3.
What are the key properties of 4-bromo-2,6-dichloro-N-(1-cyclopropylbutan-2-yl)benzenesulfonamide?
4-bromo-2,6-dichloro-N-(1-cyclopropylbutan-2-yl)benzenesulfonamide has a molecular weight of 401.15 g/mol, XLogP of 4.61, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2,6-dichloro-N-(1-cyclopropylbutan-2-yl)benzenesulfonamide is sourced from PubChem (CID 63994006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).