N-[5-bromo-2-(dimethylamino)phenyl]propane-1-sulfonamide

C11H17BrN2O2S — CID 60651582

IUPACN-[5-bromo-2-(dimethylamino)phenyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)Nc1cc(Br)ccc1N(C)C
InChIInChI=1S/C11H17BrN2O2S/c1-4-7-17(15,16)13-10-8-9(12)5-6-11(10)14(2)3/h5-6,8,13H,4,7H2,1-3H3
InChIKeyMVOGOTOBGLNRBU-UHFFFAOYSA-N
MW321.24 g/mol
LogP2.67
Rot. Bonds5

About N-[5-bromo-2-(dimethylamino)phenyl]propane-1-sulfonamide

N-[5-bromo-2-(dimethylamino)phenyl]propane-1-sulfonamide (PubChem CID 60651582) has the molecular formula C11H17BrN2O2S and a molecular weight of 321.24 g/mol. Its IUPAC name is N-[5-bromo-2-(dimethylamino)phenyl]propane-1-sulfonamide.

Molecular Properties

Compound NameN-[5-bromo-2-(dimethylamino)phenyl]propane-1-sulfonamide
PubChem CID60651582
Molecular FormulaC11H17BrN2O2S
Molecular Weight321.24 g/mol
Exact Mass320.02
IUPAC NameN-[5-bromo-2-(dimethylamino)phenyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)Nc1cc(Br)ccc1N(C)C
InChIInChI=1S/C11H17BrN2O2S/c1-4-7-17(15,16)13-10-8-9(12)5-6-11(10)14(2)3/h5-6,8,13H,4,7H2,1-3H3
InChIKeyMVOGOTOBGLNRBU-UHFFFAOYSA-N
XLogP2.67
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.24
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 29008435
N-[5-bromo-2-(dimethylamino)phenyl]-1H-pyrazole-4-sulfonamide
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N-(4-bromo-2-ethylphenyl)-2-(propylamino)ethanesulfonamide
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N-[5-bromo-2-(dimethylamino)phenyl]acetamide
CID 60651446
N-[5-bromo-2-(dimethylamino)phenyl]-2-chloropyridine-4-sulfonamide
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CID 62998550
(2S)-2-amino-N-[5-bromo-2-(dimethylamino)phenyl]butanamide
CID 79024173
N-(4-bromo-2-fluorophenyl)butane-1-sulfonamide
CID 6468897
N-[5-bromo-2-(dimethylamino)phenyl]-2-(ethylamino)-2-methylpropanamide
CID 62833937
N-(2,4-dibromophenyl)-2-(propylamino)ethanesulfonamide
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4-bromo-2-ethyl-N,N-dimethylaniline
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CID 107798991

Frequently Asked Questions

What is the IUPAC name of N-[5-bromo-2-(dimethylamino)phenyl]propane-1-sulfonamide?
The IUPAC name of N-[5-bromo-2-(dimethylamino)phenyl]propane-1-sulfonamide (CID 60651582) is N-[5-bromo-2-(dimethylamino)phenyl]propane-1-sulfonamide.
What is the SMILES notation for N-[5-bromo-2-(dimethylamino)phenyl]propane-1-sulfonamide?
The canonical SMILES for N-[5-bromo-2-(dimethylamino)phenyl]propane-1-sulfonamide is CCCS(=O)(=O)Nc1cc(Br)ccc1N(C)C.
What is the InChIKey of N-[5-bromo-2-(dimethylamino)phenyl]propane-1-sulfonamide?
The InChIKey is MVOGOTOBGLNRBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17BrN2O2S/c1-4-7-17(15,16)13-10-8-9(12)5-6-11(10)14(2)3/h5-6,8,13H,4,7H2,1-3H3.
What are the key properties of N-[5-bromo-2-(dimethylamino)phenyl]propane-1-sulfonamide?
N-[5-bromo-2-(dimethylamino)phenyl]propane-1-sulfonamide has a molecular weight of 321.24 g/mol, XLogP of 2.67, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-bromo-2-(dimethylamino)phenyl]propane-1-sulfonamide is sourced from PubChem (CID 60651582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).