5-amino-4-bromo-2-methyl-N-(1-pyridin-2-ylethyl)benzenesulfonamide

C14H16BrN3O2S — CID 114625101

IUPAC5-amino-4-bromo-2-methyl-N-(1-pyridin-2-ylethyl)benzenesulfonamide
SMILESCc1cc(Br)c(N)cc1S(=O)(=O)NC(C)c1ccccn1
InChIInChI=1S/C14H16BrN3O2S/c1-9-7-11(15)12(16)8-14(9)21(19,20)18-10(2)13-5-3-4-6-17-13/h3-8,10,18H,16H2,1-2H3
InChIKeyXPWCFZIGJDUMRY-UHFFFAOYSA-N
MW370.27 g/mol
LogP2.77
Rot. Bonds4

About 5-amino-4-bromo-2-methyl-N-(1-pyridin-2-ylethyl)benzenesulfonamide

5-amino-4-bromo-2-methyl-N-(1-pyridin-2-ylethyl)benzenesulfonamide (PubChem CID 114625101) has the molecular formula C14H16BrN3O2S and a molecular weight of 370.27 g/mol. Its IUPAC name is 5-amino-4-bromo-2-methyl-N-(1-pyridin-2-ylethyl)benzenesulfonamide.

Molecular Properties

Compound Name5-amino-4-bromo-2-methyl-N-(1-pyridin-2-ylethyl)benzenesulfonamide
PubChem CID114625101
Molecular FormulaC14H16BrN3O2S
Molecular Weight370.27 g/mol
Exact Mass369.01
IUPAC Name5-amino-4-bromo-2-methyl-N-(1-pyridin-2-ylethyl)benzenesulfonamide
SMILESCc1cc(Br)c(N)cc1S(=O)(=O)NC(C)c1ccccn1
InChIInChI=1S/C14H16BrN3O2S/c1-9-7-11(15)12(16)8-14(9)21(19,20)18-10(2)13-5-3-4-6-17-13/h3-8,10,18H,16H2,1-2H3
InChIKeyXPWCFZIGJDUMRY-UHFFFAOYSA-N
XLogP2.77
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.27
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

5-bromo-2-methyl-N-(1-pyridin-2-ylethyl)benzenesulfonamide
CID 17410002
2-bromo-N-(1-pyridin-2-ylethyl)benzenesulfonamide
CID 46799998
5-amino-4-bromo-N-[1-(1H-imidazol-2-yl)ethyl]-2-methylbenzenesulfonamide
CID 114626241
5-amino-4-bromo-2-methyl-N-(1-thiophen-2-ylethyl)benzenesulfonamide
CID 114625113
5-bromo-4-methyl-N-(1-pyridin-2-ylethyl)thiophene-2-sulfonamide
CID 79932663
3-amino-5-chloro-2-fluoro-N-(1-pyridin-2-ylethyl)benzenesulfonamide
CID 103050583
5-bromo-2-hydrazinyl-N-(1-pyridin-2-ylethyl)pyridine-3-sulfonamide
CID 61299506
4-amino-2-methoxy-N-(1-pyridin-2-ylethyl)benzenesulfonamide
CID 43524291
3-amino-5-chloro-4-methyl-N-(1-pyridin-2-ylethyl)benzenesulfonamide
CID 43524314
N-(1-pyridin-2-ylethyl)methanesulfonamide
CID 60681407
4-methyl-N-[(1R)-1-pyridin-2-ylethyl]benzenesulfonamide
CID 40664770
5-bromo-4-[[(1S)-1-pyridin-2-ylethyl]sulfamoyl]furan-2-carboxylic acid
CID 81393153

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-bromo-2-methyl-N-(1-pyridin-2-ylethyl)benzenesulfonamide?
The IUPAC name of 5-amino-4-bromo-2-methyl-N-(1-pyridin-2-ylethyl)benzenesulfonamide (CID 114625101) is 5-amino-4-bromo-2-methyl-N-(1-pyridin-2-ylethyl)benzenesulfonamide.
What is the SMILES notation for 5-amino-4-bromo-2-methyl-N-(1-pyridin-2-ylethyl)benzenesulfonamide?
The canonical SMILES for 5-amino-4-bromo-2-methyl-N-(1-pyridin-2-ylethyl)benzenesulfonamide is Cc1cc(Br)c(N)cc1S(=O)(=O)NC(C)c1ccccn1.
What is the InChIKey of 5-amino-4-bromo-2-methyl-N-(1-pyridin-2-ylethyl)benzenesulfonamide?
The InChIKey is XPWCFZIGJDUMRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrN3O2S/c1-9-7-11(15)12(16)8-14(9)21(19,20)18-10(2)13-5-3-4-6-17-13/h3-8,10,18H,16H2,1-2H3.
What are the key properties of 5-amino-4-bromo-2-methyl-N-(1-pyridin-2-ylethyl)benzenesulfonamide?
5-amino-4-bromo-2-methyl-N-(1-pyridin-2-ylethyl)benzenesulfonamide has a molecular weight of 370.27 g/mol, XLogP of 2.77, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-bromo-2-methyl-N-(1-pyridin-2-ylethyl)benzenesulfonamide is sourced from PubChem (CID 114625101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).