5-bromo-2-methyl-N-(1-pyridin-2-ylethyl)benzenesulfonamide

C14H15BrN2O2S — CID 17410002

IUPAC5-bromo-2-methyl-N-(1-pyridin-2-ylethyl)benzenesulfonamide
SMILESCc1ccc(Br)cc1S(=O)(=O)NC(C)c1ccccn1
InChIInChI=1S/C14H15BrN2O2S/c1-10-6-7-12(15)9-14(10)20(18,19)17-11(2)13-5-3-4-8-16-13/h3-9,11,17H,1-2H3
InChIKeyXIPRGHOATVADMB-UHFFFAOYSA-N
MW355.26 g/mol
LogP3.19
Rot. Bonds4

About 5-bromo-2-methyl-N-(1-pyridin-2-ylethyl)benzenesulfonamide

5-bromo-2-methyl-N-(1-pyridin-2-ylethyl)benzenesulfonamide (PubChem CID 17410002) has the molecular formula C14H15BrN2O2S and a molecular weight of 355.26 g/mol. Its IUPAC name is 5-bromo-2-methyl-N-(1-pyridin-2-ylethyl)benzenesulfonamide.

Molecular Properties

Compound Name5-bromo-2-methyl-N-(1-pyridin-2-ylethyl)benzenesulfonamide
PubChem CID17410002
Molecular FormulaC14H15BrN2O2S
Molecular Weight355.26 g/mol
Exact Mass354.00
IUPAC Name5-bromo-2-methyl-N-(1-pyridin-2-ylethyl)benzenesulfonamide
SMILESCc1ccc(Br)cc1S(=O)(=O)NC(C)c1ccccn1
InChIInChI=1S/C14H15BrN2O2S/c1-10-6-7-12(15)9-14(10)20(18,19)17-11(2)13-5-3-4-8-16-13/h3-9,11,17H,1-2H3
InChIKeyXIPRGHOATVADMB-UHFFFAOYSA-N
XLogP3.19
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.26
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-amino-4-bromo-2-methyl-N-(1-pyridin-2-ylethyl)benzenesulfonamide
CID 114625101
2-bromo-N-(1-pyridin-2-ylethyl)benzenesulfonamide
CID 46799998
5-bromo-2-hydrazinyl-N-(1-pyridin-2-ylethyl)pyridine-3-sulfonamide
CID 61299506
5-bromo-2-methyl-N-propan-2-ylbenzenesulfonamide
CID 8777711
5-bromo-4-methyl-N-(1-pyridin-2-ylethyl)thiophene-2-sulfonamide
CID 79932663
3-fluoro-4-methyl-N-(1-pyridin-2-ylethyl)benzenesulfonamide
CID 46452389
5-bromo-2-methyl-N-(1-pyridin-2-ylethyl)aniline
CID 43729519
N-(1-pyridin-2-ylethyl)methanesulfonamide
CID 60681407
4-methyl-N-[(1R)-1-pyridin-2-ylethyl]benzenesulfonamide
CID 40664770
2,4-dimethoxy-N-(1-pyridin-2-ylethyl)benzenesulfonamide
CID 110724455
5-bromo-4-[[(1S)-1-pyridin-2-ylethyl]sulfamoyl]furan-2-carboxylic acid
CID 81393153
5-bromo-2-methyl-N-(1-pyridin-2-ylethyl)benzamide
CID 65307460

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-methyl-N-(1-pyridin-2-ylethyl)benzenesulfonamide?
The IUPAC name of 5-bromo-2-methyl-N-(1-pyridin-2-ylethyl)benzenesulfonamide (CID 17410002) is 5-bromo-2-methyl-N-(1-pyridin-2-ylethyl)benzenesulfonamide.
What is the SMILES notation for 5-bromo-2-methyl-N-(1-pyridin-2-ylethyl)benzenesulfonamide?
The canonical SMILES for 5-bromo-2-methyl-N-(1-pyridin-2-ylethyl)benzenesulfonamide is Cc1ccc(Br)cc1S(=O)(=O)NC(C)c1ccccn1.
What is the InChIKey of 5-bromo-2-methyl-N-(1-pyridin-2-ylethyl)benzenesulfonamide?
The InChIKey is XIPRGHOATVADMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN2O2S/c1-10-6-7-12(15)9-14(10)20(18,19)17-11(2)13-5-3-4-8-16-13/h3-9,11,17H,1-2H3.
What are the key properties of 5-bromo-2-methyl-N-(1-pyridin-2-ylethyl)benzenesulfonamide?
5-bromo-2-methyl-N-(1-pyridin-2-ylethyl)benzenesulfonamide has a molecular weight of 355.26 g/mol, XLogP of 3.19, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-methyl-N-(1-pyridin-2-ylethyl)benzenesulfonamide is sourced from PubChem (CID 17410002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).