N-[(3-bromophenyl)methyl]-1-(ethylamino)propane-2-sulfonamide

C12H19BrN2O2S — CID 114137608

IUPACN-[(3-bromophenyl)methyl]-1-(ethylamino)propane-2-sulfonamide
SMILESCCNCC(C)S(=O)(=O)NCc1cccc(Br)c1
InChIInChI=1S/C12H19BrN2O2S/c1-3-14-8-10(2)18(16,17)15-9-11-5-4-6-12(13)7-11/h4-7,10,14-15H,3,8-9H2,1-2H3
InChIKeyJUSIQWAMVGFOBU-UHFFFAOYSA-N
MW335.27 g/mol
LogP1.87
Rot. Bonds7

About N-[(3-bromophenyl)methyl]-1-(ethylamino)propane-2-sulfonamide

N-[(3-bromophenyl)methyl]-1-(ethylamino)propane-2-sulfonamide (PubChem CID 114137608) has the molecular formula C12H19BrN2O2S and a molecular weight of 335.27 g/mol. Its IUPAC name is N-[(3-bromophenyl)methyl]-1-(ethylamino)propane-2-sulfonamide.

Molecular Properties

Compound NameN-[(3-bromophenyl)methyl]-1-(ethylamino)propane-2-sulfonamide
PubChem CID114137608
Molecular FormulaC12H19BrN2O2S
Molecular Weight335.27 g/mol
Exact Mass334.04
IUPAC NameN-[(3-bromophenyl)methyl]-1-(ethylamino)propane-2-sulfonamide
SMILESCCNCC(C)S(=O)(=O)NCc1cccc(Br)c1
InChIInChI=1S/C12H19BrN2O2S/c1-3-14-8-10(2)18(16,17)15-9-11-5-4-6-12(13)7-11/h4-7,10,14-15H,3,8-9H2,1-2H3
InChIKeyJUSIQWAMVGFOBU-UHFFFAOYSA-N
XLogP1.87
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.27
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 106018688
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3-(3-bromophenyl)-2-[(3-bromophenyl)methyl]-N-ethylpropan-1-amine
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N-[(3-bromophenyl)methyl]-3-methylbutane-1-sulfonamide
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1-(ethylamino)-N-[(4-fluoro-3,5-dimethylphenyl)methyl]propane-2-sulfonamide
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2-[(3-bromophenyl)methyl]-N-ethyl-3-methylbutan-1-amine
CID 62528161
N-[(3-bromophenyl)methyl]-2-methylbutan-1-amine
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1-(ethylamino)-N-[2-(3-methoxyphenyl)ethyl]propane-2-sulfonamide
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2-[(3-bromophenyl)methyl]-N-ethyl-5-methylsulfonylpentan-1-amine
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1-(ethylamino)-N-(1H-pyrazol-4-ylmethyl)propane-2-sulfonamide
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Frequently Asked Questions

What is the IUPAC name of N-[(3-bromophenyl)methyl]-1-(ethylamino)propane-2-sulfonamide?
The IUPAC name of N-[(3-bromophenyl)methyl]-1-(ethylamino)propane-2-sulfonamide (CID 114137608) is N-[(3-bromophenyl)methyl]-1-(ethylamino)propane-2-sulfonamide.
What is the SMILES notation for N-[(3-bromophenyl)methyl]-1-(ethylamino)propane-2-sulfonamide?
The canonical SMILES for N-[(3-bromophenyl)methyl]-1-(ethylamino)propane-2-sulfonamide is CCNCC(C)S(=O)(=O)NCc1cccc(Br)c1.
What is the InChIKey of N-[(3-bromophenyl)methyl]-1-(ethylamino)propane-2-sulfonamide?
The InChIKey is JUSIQWAMVGFOBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19BrN2O2S/c1-3-14-8-10(2)18(16,17)15-9-11-5-4-6-12(13)7-11/h4-7,10,14-15H,3,8-9H2,1-2H3.
What are the key properties of N-[(3-bromophenyl)methyl]-1-(ethylamino)propane-2-sulfonamide?
N-[(3-bromophenyl)methyl]-1-(ethylamino)propane-2-sulfonamide has a molecular weight of 335.27 g/mol, XLogP of 1.87, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromophenyl)methyl]-1-(ethylamino)propane-2-sulfonamide is sourced from PubChem (CID 114137608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).