3-(3-bromophenyl)sulfonyl-N,N-dimethylpropan-1-amine

C11H16BrNO2S — CID 58531760

IUPAC3-(3-bromophenyl)sulfonyl-N,N-dimethylpropan-1-amine
SMILESCN(C)CCCS(=O)(=O)c1cccc(Br)c1
InChIInChI=1S/C11H16BrNO2S/c1-13(2)7-4-8-16(14,15)11-6-3-5-10(12)9-11/h3,5-6,9H,4,7-8H2,1-2H3
InChIKeyGFZXLBHHFPSESP-UHFFFAOYSA-N
MW306.22 g/mol
LogP2.17
Rot. Bonds5

About 3-(3-bromophenyl)sulfonyl-N,N-dimethylpropan-1-amine

3-(3-bromophenyl)sulfonyl-N,N-dimethylpropan-1-amine (PubChem CID 58531760) has the molecular formula C11H16BrNO2S and a molecular weight of 306.22 g/mol. Its IUPAC name is 3-(3-bromophenyl)sulfonyl-N,N-dimethylpropan-1-amine.

Molecular Properties

Compound Name3-(3-bromophenyl)sulfonyl-N,N-dimethylpropan-1-amine
PubChem CID58531760
Molecular FormulaC11H16BrNO2S
Molecular Weight306.22 g/mol
Exact Mass305.01
IUPAC Name3-(3-bromophenyl)sulfonyl-N,N-dimethylpropan-1-amine
SMILESCN(C)CCCS(=O)(=O)c1cccc(Br)c1
InChIInChI=1S/C11H16BrNO2S/c1-13(2)7-4-8-16(14,15)11-6-3-5-10(12)9-11/h3,5-6,9H,4,7-8H2,1-2H3
InChIKeyGFZXLBHHFPSESP-UHFFFAOYSA-N
XLogP2.17
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.22
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 162134490
1-bromo-3-(2-phenylethylsulfonyl)benzene
CID 67134245
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CID 60823312
3-bromo-N-(2-bromoethyl)-N-methylbenzenesulfonamide
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4-[3-(3-bromophenyl)sulfonylpropoxy]aniline
CID 62805519
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2-chloro-4-[3-(dimethylamino)propylsulfonyl]aniline
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Frequently Asked Questions

What is the IUPAC name of 3-(3-bromophenyl)sulfonyl-N,N-dimethylpropan-1-amine?
The IUPAC name of 3-(3-bromophenyl)sulfonyl-N,N-dimethylpropan-1-amine (CID 58531760) is 3-(3-bromophenyl)sulfonyl-N,N-dimethylpropan-1-amine.
What is the SMILES notation for 3-(3-bromophenyl)sulfonyl-N,N-dimethylpropan-1-amine?
The canonical SMILES for 3-(3-bromophenyl)sulfonyl-N,N-dimethylpropan-1-amine is CN(C)CCCS(=O)(=O)c1cccc(Br)c1.
What is the InChIKey of 3-(3-bromophenyl)sulfonyl-N,N-dimethylpropan-1-amine?
The InChIKey is GFZXLBHHFPSESP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrNO2S/c1-13(2)7-4-8-16(14,15)11-6-3-5-10(12)9-11/h3,5-6,9H,4,7-8H2,1-2H3.
What are the key properties of 3-(3-bromophenyl)sulfonyl-N,N-dimethylpropan-1-amine?
3-(3-bromophenyl)sulfonyl-N,N-dimethylpropan-1-amine has a molecular weight of 306.22 g/mol, XLogP of 2.17, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromophenyl)sulfonyl-N,N-dimethylpropan-1-amine is sourced from PubChem (CID 58531760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).