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

C12H15Br3N2O2S — CID 106002465

IUPAC1-(cyclopropylamino)-N-(2,4,6-tribromophenyl)propane-2-sulfonamide
SMILESCC(CNC1CC1)S(=O)(=O)Nc1c(Br)cc(Br)cc1Br
InChIInChI=1S/C12H15Br3N2O2S/c1-7(6-16-9-2-3-9)20(18,19)17-12-10(14)4-8(13)5-11(12)15/h4-5,7,9,16-17H,2-3,6H2,1H3
InChIKeyNECVPTRASJLLFU-UHFFFAOYSA-N
MW491.04 g/mol
LogP3.86
Rot. Bonds6

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

1-(cyclopropylamino)-N-(2,4,6-tribromophenyl)propane-2-sulfonamide (PubChem CID 106002465) has the molecular formula C12H15Br3N2O2S and a molecular weight of 491.04 g/mol. Its IUPAC name is 1-(cyclopropylamino)-N-(2,4,6-tribromophenyl)propane-2-sulfonamide.

Molecular Properties

Compound Name1-(cyclopropylamino)-N-(2,4,6-tribromophenyl)propane-2-sulfonamide
PubChem CID106002465
Molecular FormulaC12H15Br3N2O2S
Molecular Weight491.04 g/mol
Exact Mass487.84
IUPAC Name1-(cyclopropylamino)-N-(2,4,6-tribromophenyl)propane-2-sulfonamide
SMILESCC(CNC1CC1)S(=O)(=O)Nc1c(Br)cc(Br)cc1Br
InChIInChI=1S/C12H15Br3N2O2S/c1-7(6-16-9-2-3-9)20(18,19)17-12-10(14)4-8(13)5-11(12)15/h4-5,7,9,16-17H,2-3,6H2,1H3
InChIKeyNECVPTRASJLLFU-UHFFFAOYSA-N
XLogP3.86
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.04
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(cyclopropylamino)-N-(2,6-dibromo-4-methylphenyl)propane-2-sulfonamide
CID 106001978
1-(cyclopropylamino)-N-(2,4-dibromophenyl)propane-2-sulfonamide
CID 106003288
N-(5-bromo-2-pyridinyl)-1-(cyclopropylamino)propane-2-sulfonamide
CID 106020370
N-[(3-bromophenyl)methyl]-1-(cyclopropylamino)propane-2-sulfonamide
CID 106018688
N-(3-chlorophenyl)-1-(cyclopropylamino)propane-2-sulfonamide
CID 106060415
1-(cyclopropylamino)-N-(4-methoxyphenyl)propane-2-sulfonamide
CID 106031224
1-(cyclopropylamino)-N-(4-propylphenyl)propane-2-sulfonamide
CID 106026307
1-(cyclopropylamino)-N-(4-methoxy-2-methylphenyl)propane-2-sulfonamide
CID 106056014
1-(cyclopropylamino)-N-(2,5-dimethoxyphenyl)propane-2-sulfonamide
CID 106058868
1-(cyclopropylamino)-N-(2,3-dichlorophenyl)propane-2-sulfonamide
CID 106030643
1-(cyclopropylamino)-N-(6-methyl-2-pyridinyl)propane-2-sulfonamide
CID 106086856
N-cyclooctyl-1-(cyclopropylamino)propane-2-sulfonamide
CID 106058802

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylamino)-N-(2,4,6-tribromophenyl)propane-2-sulfonamide?
The IUPAC name of 1-(cyclopropylamino)-N-(2,4,6-tribromophenyl)propane-2-sulfonamide (CID 106002465) is 1-(cyclopropylamino)-N-(2,4,6-tribromophenyl)propane-2-sulfonamide.
What is the SMILES notation for 1-(cyclopropylamino)-N-(2,4,6-tribromophenyl)propane-2-sulfonamide?
The canonical SMILES for 1-(cyclopropylamino)-N-(2,4,6-tribromophenyl)propane-2-sulfonamide is CC(CNC1CC1)S(=O)(=O)Nc1c(Br)cc(Br)cc1Br.
What is the InChIKey of 1-(cyclopropylamino)-N-(2,4,6-tribromophenyl)propane-2-sulfonamide?
The InChIKey is NECVPTRASJLLFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15Br3N2O2S/c1-7(6-16-9-2-3-9)20(18,19)17-12-10(14)4-8(13)5-11(12)15/h4-5,7,9,16-17H,2-3,6H2,1H3.
What are the key properties of 1-(cyclopropylamino)-N-(2,4,6-tribromophenyl)propane-2-sulfonamide?
1-(cyclopropylamino)-N-(2,4,6-tribromophenyl)propane-2-sulfonamide has a molecular weight of 491.04 g/mol, XLogP of 3.86, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylamino)-N-(2,4,6-tribromophenyl)propane-2-sulfonamide is sourced from PubChem (CID 106002465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).