N-(5-bromo-2-chlorophenyl)-2-(propan-2-ylamino)ethanesulfonamide

C11H16BrClN2O2S — CID 62908956

IUPACN-(5-bromo-2-chlorophenyl)-2-(propan-2-ylamino)ethanesulfonamide
SMILESCC(C)NCCS(=O)(=O)Nc1cc(Br)ccc1Cl
InChIInChI=1S/C11H16BrClN2O2S/c1-8(2)14-5-6-18(16,17)15-11-7-9(12)3-4-10(11)13/h3-4,7-8,14-15H,5-6H2,1-2H3
InChIKeyAOTZMOSAQQLZTF-UHFFFAOYSA-N
MW355.69 g/mol
LogP2.84
Rot. Bonds6

About N-(5-bromo-2-chlorophenyl)-2-(propan-2-ylamino)ethanesulfonamide

N-(5-bromo-2-chlorophenyl)-2-(propan-2-ylamino)ethanesulfonamide (PubChem CID 62908956) has the molecular formula C11H16BrClN2O2S and a molecular weight of 355.69 g/mol. Its IUPAC name is N-(5-bromo-2-chlorophenyl)-2-(propan-2-ylamino)ethanesulfonamide.

Molecular Properties

Compound NameN-(5-bromo-2-chlorophenyl)-2-(propan-2-ylamino)ethanesulfonamide
PubChem CID62908956
Molecular FormulaC11H16BrClN2O2S
Molecular Weight355.69 g/mol
Exact Mass353.98
IUPAC NameN-(5-bromo-2-chlorophenyl)-2-(propan-2-ylamino)ethanesulfonamide
SMILESCC(C)NCCS(=O)(=O)Nc1cc(Br)ccc1Cl
InChIInChI=1S/C11H16BrClN2O2S/c1-8(2)14-5-6-18(16,17)15-11-7-9(12)3-4-10(11)13/h3-4,7-8,14-15H,5-6H2,1-2H3
InChIKeyAOTZMOSAQQLZTF-UHFFFAOYSA-N
XLogP2.84
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.69
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-bromo-2-methylphenyl)-2-(propan-2-ylamino)ethanesulfonamide
CID 54971985
N-(2,5-dichlorophenyl)-4-(propan-2-ylamino)butane-1-sulfonamide
CID 106037094
N-(4-bromo-2-chlorophenyl)-2-(ethylamino)ethanesulfonamide
CID 54972468
N-(2,6-dichloro-4-fluorophenyl)-2-(propan-2-ylamino)ethanesulfonamide
CID 83079123
N-(2,4-dimethylphenyl)-2-(propan-2-ylamino)ethanesulfonamide
CID 54974025
N-(5-bromo-2-chlorophenyl)-1-(propylamino)propane-2-sulfonamide
CID 106056724
N-(5-bromo-2-chlorophenyl)-2-pyridin-2-ylethanesulfonamide
CID 62909121
N-(5-bromo-2-chlorophenyl)benzenesulfonamide
CID 62909796
N-(3-bromo-4-iodophenyl)-2-(propan-2-ylamino)ethanesulfonamide
CID 114262255
4-bromo-N-(5-bromo-2-chlorophenyl)-2,6-dichlorobenzenesulfonamide
CID 63421665
N-(5-bromo-2-chlorophenyl)-2-(ethylamino)pyridine-4-sulfonamide
CID 62908445
N-(4-bromo-2-chlorophenyl)-3-chloropropane-1-sulfonamide
CID 43654223

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-chlorophenyl)-2-(propan-2-ylamino)ethanesulfonamide?
The IUPAC name of N-(5-bromo-2-chlorophenyl)-2-(propan-2-ylamino)ethanesulfonamide (CID 62908956) is N-(5-bromo-2-chlorophenyl)-2-(propan-2-ylamino)ethanesulfonamide.
What is the SMILES notation for N-(5-bromo-2-chlorophenyl)-2-(propan-2-ylamino)ethanesulfonamide?
The canonical SMILES for N-(5-bromo-2-chlorophenyl)-2-(propan-2-ylamino)ethanesulfonamide is CC(C)NCCS(=O)(=O)Nc1cc(Br)ccc1Cl.
What is the InChIKey of N-(5-bromo-2-chlorophenyl)-2-(propan-2-ylamino)ethanesulfonamide?
The InChIKey is AOTZMOSAQQLZTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrClN2O2S/c1-8(2)14-5-6-18(16,17)15-11-7-9(12)3-4-10(11)13/h3-4,7-8,14-15H,5-6H2,1-2H3.
What are the key properties of N-(5-bromo-2-chlorophenyl)-2-(propan-2-ylamino)ethanesulfonamide?
N-(5-bromo-2-chlorophenyl)-2-(propan-2-ylamino)ethanesulfonamide has a molecular weight of 355.69 g/mol, XLogP of 2.84, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-chlorophenyl)-2-(propan-2-ylamino)ethanesulfonamide is sourced from PubChem (CID 62908956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).