1-(cyclopropylamino)-N-(2,6-dibromo-4-methylphenyl)propane-2-sulfonamide

C13H18Br2N2O2S — CID 106001978

IUPAC1-(cyclopropylamino)-N-(2,6-dibromo-4-methylphenyl)propane-2-sulfonamide
SMILESCc1cc(Br)c(NS(=O)(=O)C(C)CNC2CC2)c(Br)c1
InChIInChI=1S/C13H18Br2N2O2S/c1-8-5-11(14)13(12(15)6-8)17-20(18,19)9(2)7-16-10-3-4-10/h5-6,9-10,16-17H,3-4,7H2,1-2H3
InChIKeyORSVHQZTGRJQPJ-UHFFFAOYSA-N
MW426.17 g/mol
LogP3.40
Rot. Bonds6

About 1-(cyclopropylamino)-N-(2,6-dibromo-4-methylphenyl)propane-2-sulfonamide

1-(cyclopropylamino)-N-(2,6-dibromo-4-methylphenyl)propane-2-sulfonamide (PubChem CID 106001978) has the molecular formula C13H18Br2N2O2S and a molecular weight of 426.17 g/mol. Its IUPAC name is 1-(cyclopropylamino)-N-(2,6-dibromo-4-methylphenyl)propane-2-sulfonamide.

Molecular Properties

Compound Name1-(cyclopropylamino)-N-(2,6-dibromo-4-methylphenyl)propane-2-sulfonamide
PubChem CID106001978
Molecular FormulaC13H18Br2N2O2S
Molecular Weight426.17 g/mol
Exact Mass423.95
IUPAC Name1-(cyclopropylamino)-N-(2,6-dibromo-4-methylphenyl)propane-2-sulfonamide
SMILESCc1cc(Br)c(NS(=O)(=O)C(C)CNC2CC2)c(Br)c1
InChIInChI=1S/C13H18Br2N2O2S/c1-8-5-11(14)13(12(15)6-8)17-20(18,19)9(2)7-16-10-3-4-10/h5-6,9-10,16-17H,3-4,7H2,1-2H3
InChIKeyORSVHQZTGRJQPJ-UHFFFAOYSA-N
XLogP3.40
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.17
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(cyclopropylamino)-N-(2,4,6-tribromophenyl)propane-2-sulfonamide
CID 106002465
1-(cyclopropylamino)-N-(2,4-dibromophenyl)propane-2-sulfonamide
CID 106003288
N-(5-bromo-2-pyridinyl)-1-(cyclopropylamino)propane-2-sulfonamide
CID 106020370
1-(cyclopropylamino)-N-(4-methoxy-2-methylphenyl)propane-2-sulfonamide
CID 106056014
N-(3-chlorophenyl)-1-(cyclopropylamino)propane-2-sulfonamide
CID 106060415
1-(cyclopropylamino)-N-(6-methyl-2-pyridinyl)propane-2-sulfonamide
CID 106086856
1-(cyclopropylamino)-N-(4-methoxyphenyl)propane-2-sulfonamide
CID 106031224
N-[(3-bromophenyl)methyl]-1-(cyclopropylamino)propane-2-sulfonamide
CID 106018688
1-(cyclopropylamino)-N-(4-propylphenyl)propane-2-sulfonamide
CID 106026307
N-(2,6-dibromo-4-methylphenyl)propane-1-sulfonamide
CID 60640320
1-(cyclopropylamino)-N-(2,5-dimethoxyphenyl)propane-2-sulfonamide
CID 106058868
1-(cyclopropylamino)-N-(2,3-dichlorophenyl)propane-2-sulfonamide
CID 106030643

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylamino)-N-(2,6-dibromo-4-methylphenyl)propane-2-sulfonamide?
The IUPAC name of 1-(cyclopropylamino)-N-(2,6-dibromo-4-methylphenyl)propane-2-sulfonamide (CID 106001978) is 1-(cyclopropylamino)-N-(2,6-dibromo-4-methylphenyl)propane-2-sulfonamide.
What is the SMILES notation for 1-(cyclopropylamino)-N-(2,6-dibromo-4-methylphenyl)propane-2-sulfonamide?
The canonical SMILES for 1-(cyclopropylamino)-N-(2,6-dibromo-4-methylphenyl)propane-2-sulfonamide is Cc1cc(Br)c(NS(=O)(=O)C(C)CNC2CC2)c(Br)c1.
What is the InChIKey of 1-(cyclopropylamino)-N-(2,6-dibromo-4-methylphenyl)propane-2-sulfonamide?
The InChIKey is ORSVHQZTGRJQPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18Br2N2O2S/c1-8-5-11(14)13(12(15)6-8)17-20(18,19)9(2)7-16-10-3-4-10/h5-6,9-10,16-17H,3-4,7H2,1-2H3.
What are the key properties of 1-(cyclopropylamino)-N-(2,6-dibromo-4-methylphenyl)propane-2-sulfonamide?
1-(cyclopropylamino)-N-(2,6-dibromo-4-methylphenyl)propane-2-sulfonamide has a molecular weight of 426.17 g/mol, XLogP of 3.40, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylamino)-N-(2,6-dibromo-4-methylphenyl)propane-2-sulfonamide is sourced from PubChem (CID 106001978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).