2-amino-5-bromo-N-ethyl-N-(pyridin-4-ylmethyl)benzenesulfonamide

C14H16BrN3O2S — CID 61139950

IUPAC2-amino-5-bromo-N-ethyl-N-(pyridin-4-ylmethyl)benzenesulfonamide
SMILESCCN(Cc1ccncc1)S(=O)(=O)c1cc(Br)ccc1N
InChIInChI=1S/C14H16BrN3O2S/c1-2-18(10-11-5-7-17-8-6-11)21(19,20)14-9-12(15)3-4-13(14)16/h3-9H,2,10,16H2,1H3
InChIKeyGWBGVPIWLDPIBA-UHFFFAOYSA-N
MW370.27 g/mol
LogP2.64
Rot. Bonds5

About 2-amino-5-bromo-N-ethyl-N-(pyridin-4-ylmethyl)benzenesulfonamide

2-amino-5-bromo-N-ethyl-N-(pyridin-4-ylmethyl)benzenesulfonamide (PubChem CID 61139950) has the molecular formula C14H16BrN3O2S and a molecular weight of 370.27 g/mol. Its IUPAC name is 2-amino-5-bromo-N-ethyl-N-(pyridin-4-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name2-amino-5-bromo-N-ethyl-N-(pyridin-4-ylmethyl)benzenesulfonamide
PubChem CID61139950
Molecular FormulaC14H16BrN3O2S
Molecular Weight370.27 g/mol
Exact Mass369.01
IUPAC Name2-amino-5-bromo-N-ethyl-N-(pyridin-4-ylmethyl)benzenesulfonamide
SMILESCCN(Cc1ccncc1)S(=O)(=O)c1cc(Br)ccc1N
InChIInChI=1S/C14H16BrN3O2S/c1-2-18(10-11-5-7-17-8-6-11)21(19,20)14-9-12(15)3-4-13(14)16/h3-9H,2,10,16H2,1H3
InChIKeyGWBGVPIWLDPIBA-UHFFFAOYSA-N
XLogP2.64
TPSA76.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.27
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-bromo-N-ethyl-2-fluoro-N-(pyridin-4-ylmethyl)benzenesulfonamide
CID 116528266
2-amino-5-bromo-N-ethyl-N-(furan-2-ylmethyl)benzenesulfonamide
CID 61106070
3-amino-N-ethyl-1-methyl-N-(pyridin-4-ylmethyl)pyrazole-4-sulfonamide
CID 61139761
4-bromo-2-(pyridin-4-ylmethylsulfonyl)aniline
CID 81207747
2-amino-5-bromo-N-[(4-bromophenyl)methyl]-N-methylbenzenesulfonamide
CID 61105733
4-amino-N-ethyl-N-(pyridin-4-ylmethyl)benzenesulfonamide
CID 61138237
4-[[ethyl(sulfamoyl)amino]methyl]pyridine
CID 112688980
2,4-dichloro-N-ethyl-N-(pyridin-4-ylmethyl)benzenesulfonamide
CID 23988205
5-bromo-N,N-diethyl-2-fluorobenzenesulfonamide
CID 110760985
2-amino-5-bromo-N-propyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 61106801
2-amino-5-bromo-N-butyl-N-(2-hydroxyethyl)benzenesulfonamide
CID 61111458
5-bromo-2-[[ethyl(pyridin-4-ylmethyl)amino]methyl]aniline
CID 79712982

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-bromo-N-ethyl-N-(pyridin-4-ylmethyl)benzenesulfonamide?
The IUPAC name of 2-amino-5-bromo-N-ethyl-N-(pyridin-4-ylmethyl)benzenesulfonamide (CID 61139950) is 2-amino-5-bromo-N-ethyl-N-(pyridin-4-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 2-amino-5-bromo-N-ethyl-N-(pyridin-4-ylmethyl)benzenesulfonamide?
The canonical SMILES for 2-amino-5-bromo-N-ethyl-N-(pyridin-4-ylmethyl)benzenesulfonamide is CCN(Cc1ccncc1)S(=O)(=O)c1cc(Br)ccc1N.
What is the InChIKey of 2-amino-5-bromo-N-ethyl-N-(pyridin-4-ylmethyl)benzenesulfonamide?
The InChIKey is GWBGVPIWLDPIBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrN3O2S/c1-2-18(10-11-5-7-17-8-6-11)21(19,20)14-9-12(15)3-4-13(14)16/h3-9H,2,10,16H2,1H3.
What are the key properties of 2-amino-5-bromo-N-ethyl-N-(pyridin-4-ylmethyl)benzenesulfonamide?
2-amino-5-bromo-N-ethyl-N-(pyridin-4-ylmethyl)benzenesulfonamide has a molecular weight of 370.27 g/mol, XLogP of 2.64, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-bromo-N-ethyl-N-(pyridin-4-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 61139950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).