2-amino-5-bromo-N-(1-ethylpiperidin-4-yl)benzenesulfonamide

C13H20BrN3O2S — CID 61126998

IUPAC2-amino-5-bromo-N-(1-ethylpiperidin-4-yl)benzenesulfonamide
SMILESCCN1CCC(NS(=O)(=O)c2cc(Br)ccc2N)CC1
InChIInChI=1S/C13H20BrN3O2S/c1-2-17-7-5-11(6-8-17)16-20(18,19)13-9-10(14)3-4-12(13)15/h3-4,9,11,16H,2,5-8,15H2,1H3
InChIKeySPWQVVNKYQDLRT-UHFFFAOYSA-N
MW362.29 g/mol
LogP1.79
Rot. Bonds4

About 2-amino-5-bromo-N-(1-ethylpiperidin-4-yl)benzenesulfonamide

2-amino-5-bromo-N-(1-ethylpiperidin-4-yl)benzenesulfonamide (PubChem CID 61126998) has the molecular formula C13H20BrN3O2S and a molecular weight of 362.29 g/mol. Its IUPAC name is 2-amino-5-bromo-N-(1-ethylpiperidin-4-yl)benzenesulfonamide.

Molecular Properties

Compound Name2-amino-5-bromo-N-(1-ethylpiperidin-4-yl)benzenesulfonamide
PubChem CID61126998
Molecular FormulaC13H20BrN3O2S
Molecular Weight362.29 g/mol
Exact Mass361.05
IUPAC Name2-amino-5-bromo-N-(1-ethylpiperidin-4-yl)benzenesulfonamide
SMILESCCN1CCC(NS(=O)(=O)c2cc(Br)ccc2N)CC1
InChIInChI=1S/C13H20BrN3O2S/c1-2-17-7-5-11(6-8-17)16-20(18,19)13-9-10(14)3-4-12(13)15/h3-4,9,11,16H,2,5-8,15H2,1H3
InChIKeySPWQVVNKYQDLRT-UHFFFAOYSA-N
XLogP1.79
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.29
LogP ≤ 51.79
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

2-amino-5-bromo-N-(1-methylpyrrolidin-3-yl)benzenesulfonamide
CID 54950213
5-amino-4-bromo-N-(1-ethylpiperidin-4-yl)-2-methylbenzenesulfonamide
CID 114625369
2,5-dibromo-N-(1-propylpiperidin-4-yl)benzenesulfonamide
CID 60664808
2-amino-4-chloro-N-(1-ethylpiperidin-4-yl)benzenesulfonamide
CID 61125265
4-amino-N-(1-ethylpiperidin-4-yl)-3-fluorobenzenesulfonamide
CID 82844406
2,4-dibromo-N-(1-propylpiperidin-4-yl)benzenesulfonamide
CID 61059201
5-bromo-N-(1-butylpiperidin-4-yl)-2-methylbenzenesulfonamide
CID 60553034
N-(1-ethylpiperidin-4-yl)-2,5-dimethylbenzenesulfonamide
CID 17456820
5-bromo-N-(1-ethylpiperidin-3-yl)-2-methylbenzenesulfonamide
CID 61170995
3-amino-N-(1-ethylpiperidin-4-yl)benzenesulfonamide
CID 61126995
2-amino-5-bromo-N-(5-oxopyrrolidin-3-yl)benzenesulfonamide
CID 114154854
2-amino-5-bromo-N-[(4-ethylcyclohexyl)methyl]benzenesulfonamide
CID 63402228

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-bromo-N-(1-ethylpiperidin-4-yl)benzenesulfonamide?
The IUPAC name of 2-amino-5-bromo-N-(1-ethylpiperidin-4-yl)benzenesulfonamide (CID 61126998) is 2-amino-5-bromo-N-(1-ethylpiperidin-4-yl)benzenesulfonamide.
What is the SMILES notation for 2-amino-5-bromo-N-(1-ethylpiperidin-4-yl)benzenesulfonamide?
The canonical SMILES for 2-amino-5-bromo-N-(1-ethylpiperidin-4-yl)benzenesulfonamide is CCN1CCC(NS(=O)(=O)c2cc(Br)ccc2N)CC1.
What is the InChIKey of 2-amino-5-bromo-N-(1-ethylpiperidin-4-yl)benzenesulfonamide?
The InChIKey is SPWQVVNKYQDLRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20BrN3O2S/c1-2-17-7-5-11(6-8-17)16-20(18,19)13-9-10(14)3-4-12(13)15/h3-4,9,11,16H,2,5-8,15H2,1H3.
What are the key properties of 2-amino-5-bromo-N-(1-ethylpiperidin-4-yl)benzenesulfonamide?
2-amino-5-bromo-N-(1-ethylpiperidin-4-yl)benzenesulfonamide has a molecular weight of 362.29 g/mol, XLogP of 1.79, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-bromo-N-(1-ethylpiperidin-4-yl)benzenesulfonamide is sourced from PubChem (CID 61126998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).