5-bromo-2-methyl-N-(1-phenylpropyl)benzenesulfonamide

C16H18BrNO2S — CID 63421088

IUPAC5-bromo-2-methyl-N-(1-phenylpropyl)benzenesulfonamide
SMILESCCC(NS(=O)(=O)c1cc(Br)ccc1C)c1ccccc1
InChIInChI=1S/C16H18BrNO2S/c1-3-15(13-7-5-4-6-8-13)18-21(19,20)16-11-14(17)10-9-12(16)2/h4-11,15,18H,3H2,1-2H3
InChIKeyZMCHIJJJKSRPQE-UHFFFAOYSA-N
MW368.30 g/mol
LogP4.19
Rot. Bonds5

About 5-bromo-2-methyl-N-(1-phenylpropyl)benzenesulfonamide

5-bromo-2-methyl-N-(1-phenylpropyl)benzenesulfonamide (PubChem CID 63421088) has the molecular formula C16H18BrNO2S and a molecular weight of 368.30 g/mol. Its IUPAC name is 5-bromo-2-methyl-N-(1-phenylpropyl)benzenesulfonamide.

Molecular Properties

Compound Name5-bromo-2-methyl-N-(1-phenylpropyl)benzenesulfonamide
PubChem CID63421088
Molecular FormulaC16H18BrNO2S
Molecular Weight368.30 g/mol
Exact Mass367.02
IUPAC Name5-bromo-2-methyl-N-(1-phenylpropyl)benzenesulfonamide
SMILESCCC(NS(=O)(=O)c1cc(Br)ccc1C)c1ccccc1
InChIInChI=1S/C16H18BrNO2S/c1-3-15(13-7-5-4-6-8-13)18-21(19,20)16-11-14(17)10-9-12(16)2/h4-11,15,18H,3H2,1-2H3
InChIKeyZMCHIJJJKSRPQE-UHFFFAOYSA-N
XLogP4.19
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.30
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-methoxy-2,5-dimethyl-N-(1-phenylpropyl)benzenesulfonamide
CID 133162836
5-bromo-2-methyl-N-propan-2-ylbenzenesulfonamide
CID 8777711
2-amino-5-bromo-N-[(1R)-2-hydroxy-1-phenylethyl]benzenesulfonamide
CID 107861996
2-amino-5-bromo-N-(2-hydroxy-1-phenylethyl)benzenesulfonamide
CID 63182474
5-(aminomethyl)-2-bromo-N-(1-phenylpropyl)furan-3-sulfonamide
CID 106055076
N-[(1S)-1-phenylpropyl]methanesulfonamide
CID 11321835
(2R)-2-[(5-bromo-2-methylphenyl)sulfonylamino]propanoic acid
CID 54991350
5-bromo-N-[1-(3,4-dimethoxyphenyl)propyl]-2-methoxybenzenesulfonamide
CID 133199778
N-(1-amino-4-methylpentan-2-yl)-5-bromo-2-methylbenzenesulfonamide;hydrochloride
CID 119983067
(2S)-2-[(5-bromo-2-methylphenyl)sulfonylamino]hexanoic acid
CID 104934720
3-[(5-bromo-2-methoxyphenyl)sulfonylamino]-3-phenylpropanoic acid
CID 45439126
N-[1-(3-bromophenyl)propyl]-3-methylbenzenesulfonamide
CID 158492004

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-methyl-N-(1-phenylpropyl)benzenesulfonamide?
The IUPAC name of 5-bromo-2-methyl-N-(1-phenylpropyl)benzenesulfonamide (CID 63421088) is 5-bromo-2-methyl-N-(1-phenylpropyl)benzenesulfonamide.
What is the SMILES notation for 5-bromo-2-methyl-N-(1-phenylpropyl)benzenesulfonamide?
The canonical SMILES for 5-bromo-2-methyl-N-(1-phenylpropyl)benzenesulfonamide is CCC(NS(=O)(=O)c1cc(Br)ccc1C)c1ccccc1.
What is the InChIKey of 5-bromo-2-methyl-N-(1-phenylpropyl)benzenesulfonamide?
The InChIKey is ZMCHIJJJKSRPQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrNO2S/c1-3-15(13-7-5-4-6-8-13)18-21(19,20)16-11-14(17)10-9-12(16)2/h4-11,15,18H,3H2,1-2H3.
What are the key properties of 5-bromo-2-methyl-N-(1-phenylpropyl)benzenesulfonamide?
5-bromo-2-methyl-N-(1-phenylpropyl)benzenesulfonamide has a molecular weight of 368.30 g/mol, XLogP of 4.19, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-methyl-N-(1-phenylpropyl)benzenesulfonamide is sourced from PubChem (CID 63421088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).