2-(cyclopropylamino)-N-(2,4-dibromo-5-methoxyphenyl)ethanesulfonamide

C12H16Br2N2O3S — CID 106087240

IUPAC2-(cyclopropylamino)-N-(2,4-dibromo-5-methoxyphenyl)ethanesulfonamide
SMILESCOc1cc(NS(=O)(=O)CCNC2CC2)c(Br)cc1Br
InChIInChI=1S/C12H16Br2N2O3S/c1-19-12-7-11(9(13)6-10(12)14)16-20(17,18)5-4-15-8-2-3-8/h6-8,15-16H,2-5H2,1H3
InChIKeyNFDIKLUUPNBQKD-UHFFFAOYSA-N
MW428.15 g/mol
LogP2.71
Rot. Bonds7

About 2-(cyclopropylamino)-N-(2,4-dibromo-5-methoxyphenyl)ethanesulfonamide

2-(cyclopropylamino)-N-(2,4-dibromo-5-methoxyphenyl)ethanesulfonamide (PubChem CID 106087240) has the molecular formula C12H16Br2N2O3S and a molecular weight of 428.15 g/mol. Its IUPAC name is 2-(cyclopropylamino)-N-(2,4-dibromo-5-methoxyphenyl)ethanesulfonamide.

Molecular Properties

Compound Name2-(cyclopropylamino)-N-(2,4-dibromo-5-methoxyphenyl)ethanesulfonamide
PubChem CID106087240
Molecular FormulaC12H16Br2N2O3S
Molecular Weight428.15 g/mol
Exact Mass425.92
IUPAC Name2-(cyclopropylamino)-N-(2,4-dibromo-5-methoxyphenyl)ethanesulfonamide
SMILESCOc1cc(NS(=O)(=O)CCNC2CC2)c(Br)cc1Br
InChIInChI=1S/C12H16Br2N2O3S/c1-19-12-7-11(9(13)6-10(12)14)16-20(17,18)5-4-15-8-2-3-8/h6-8,15-16H,2-5H2,1H3
InChIKeyNFDIKLUUPNBQKD-UHFFFAOYSA-N
XLogP2.71
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.15
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(cyclopropylamino)-N-(2-fluoro-5-methoxyphenyl)ethanesulfonamide
CID 106071796
N-(2-bromo-4-methylphenyl)-3-(cyclopropylamino)propane-1-sulfonamide
CID 106043185
N-(2-bromo-5-chlorophenyl)-3-(cyclopropylamino)propane-1-sulfonamide
CID 106073353
2-(cyclopropylamino)-N-(3-fluoro-5-methylphenyl)ethanesulfonamide
CID 114141631
N-(2,4-dibromo-5-methoxyphenyl)piperidine-3-sulfonamide
CID 103415161
N-(2-bromophenyl)-4-(cyclopropylamino)butane-1-sulfonamide
CID 106061301
N-(2-methoxy-4,5-dimethylphenyl)propane-1-sulfonamide
CID 110776836
2,4-dibromo-N-(cyclopentylmethyl)-5-methoxyaniline
CID 103412121
2-[(2,4-dibromo-5-methoxyphenyl)sulfamoyl]propanoic acid
CID 103410995
3-bromo-N-[2-(cyclopropylamino)ethyl]-4-methoxybenzamide
CID 62662939
N-(3-bromo-5-methylphenyl)-3-(cyclopropylamino)propane-1-sulfonamide
CID 106089298
N-(2,4-dibromo-5-methoxyphenyl)-2-fluorobenzenesulfonamide
CID 103412574

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylamino)-N-(2,4-dibromo-5-methoxyphenyl)ethanesulfonamide?
The IUPAC name of 2-(cyclopropylamino)-N-(2,4-dibromo-5-methoxyphenyl)ethanesulfonamide (CID 106087240) is 2-(cyclopropylamino)-N-(2,4-dibromo-5-methoxyphenyl)ethanesulfonamide.
What is the SMILES notation for 2-(cyclopropylamino)-N-(2,4-dibromo-5-methoxyphenyl)ethanesulfonamide?
The canonical SMILES for 2-(cyclopropylamino)-N-(2,4-dibromo-5-methoxyphenyl)ethanesulfonamide is COc1cc(NS(=O)(=O)CCNC2CC2)c(Br)cc1Br.
What is the InChIKey of 2-(cyclopropylamino)-N-(2,4-dibromo-5-methoxyphenyl)ethanesulfonamide?
The InChIKey is NFDIKLUUPNBQKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16Br2N2O3S/c1-19-12-7-11(9(13)6-10(12)14)16-20(17,18)5-4-15-8-2-3-8/h6-8,15-16H,2-5H2,1H3.
What are the key properties of 2-(cyclopropylamino)-N-(2,4-dibromo-5-methoxyphenyl)ethanesulfonamide?
2-(cyclopropylamino)-N-(2,4-dibromo-5-methoxyphenyl)ethanesulfonamide has a molecular weight of 428.15 g/mol, XLogP of 2.71, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylamino)-N-(2,4-dibromo-5-methoxyphenyl)ethanesulfonamide is sourced from PubChem (CID 106087240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).