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

C14H22BrN3O2S — CID 114625369

IUPAC5-amino-4-bromo-N-(1-ethylpiperidin-4-yl)-2-methylbenzenesulfonamide
SMILESCCN1CCC(NS(=O)(=O)c2cc(N)c(Br)cc2C)CC1
InChIInChI=1S/C14H22BrN3O2S/c1-3-18-6-4-11(5-7-18)17-21(19,20)14-9-13(16)12(15)8-10(14)2/h8-9,11,17H,3-7,16H2,1-2H3
InChIKeyUJTJUJSDWZAKCS-UHFFFAOYSA-N
MW376.32 g/mol
LogP2.10
Rot. Bonds4

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

5-amino-4-bromo-N-(1-ethylpiperidin-4-yl)-2-methylbenzenesulfonamide (PubChem CID 114625369) has the molecular formula C14H22BrN3O2S and a molecular weight of 376.32 g/mol. Its IUPAC name is 5-amino-4-bromo-N-(1-ethylpiperidin-4-yl)-2-methylbenzenesulfonamide.

Molecular Properties

Compound Name5-amino-4-bromo-N-(1-ethylpiperidin-4-yl)-2-methylbenzenesulfonamide
PubChem CID114625369
Molecular FormulaC14H22BrN3O2S
Molecular Weight376.32 g/mol
Exact Mass375.06
IUPAC Name5-amino-4-bromo-N-(1-ethylpiperidin-4-yl)-2-methylbenzenesulfonamide
SMILESCCN1CCC(NS(=O)(=O)c2cc(N)c(Br)cc2C)CC1
InChIInChI=1S/C14H22BrN3O2S/c1-3-18-6-4-11(5-7-18)17-21(19,20)14-9-13(16)12(15)8-10(14)2/h8-9,11,17H,3-7,16H2,1-2H3
InChIKeyUJTJUJSDWZAKCS-UHFFFAOYSA-N
XLogP2.10
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.32
LogP ≤ 52.10
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-amino-4-bromo-N-cyclopentyl-2-methylbenzenesulfonamide
CID 114624790
5-amino-4-bromo-N-cyclooctyl-2-methylbenzenesulfonamide
CID 114624962
5-amino-4-bromo-2-methyl-N-(4-methylcyclohexyl)benzenesulfonamide
CID 104963333
2-amino-5-bromo-N-(1-ethylpiperidin-4-yl)benzenesulfonamide
CID 61126998
5-amino-4-bromo-N-(1,1-dioxothian-4-yl)-2-methylbenzenesulfonamide
CID 114625209
N-(1-ethylpiperidin-4-yl)-2,5-dimethylbenzenesulfonamide
CID 17456820
5-amino-4-bromo-2-methyl-N-(3-methylcyclopentyl)benzenesulfonamide
CID 114626345
2-amino-4-chloro-N-(1-ethylpiperidin-4-yl)benzenesulfonamide
CID 61125265
4,5-dimethoxy-2-methyl-N-(1-propylpiperidin-4-yl)benzenesulfonamide;hydrochloride
CID 134006739
4-amino-N-(1-ethylpiperidin-4-yl)-3-fluorobenzenesulfonamide
CID 82844406
4-amino-N-(1-ethylpiperidin-3-yl)-2-methylbenzenesulfonamide
CID 61169182
5-bromo-N-(1-butylpiperidin-4-yl)-2-methylbenzenesulfonamide
CID 60553034

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-bromo-N-(1-ethylpiperidin-4-yl)-2-methylbenzenesulfonamide?
The IUPAC name of 5-amino-4-bromo-N-(1-ethylpiperidin-4-yl)-2-methylbenzenesulfonamide (CID 114625369) is 5-amino-4-bromo-N-(1-ethylpiperidin-4-yl)-2-methylbenzenesulfonamide.
What is the SMILES notation for 5-amino-4-bromo-N-(1-ethylpiperidin-4-yl)-2-methylbenzenesulfonamide?
The canonical SMILES for 5-amino-4-bromo-N-(1-ethylpiperidin-4-yl)-2-methylbenzenesulfonamide is CCN1CCC(NS(=O)(=O)c2cc(N)c(Br)cc2C)CC1.
What is the InChIKey of 5-amino-4-bromo-N-(1-ethylpiperidin-4-yl)-2-methylbenzenesulfonamide?
The InChIKey is UJTJUJSDWZAKCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22BrN3O2S/c1-3-18-6-4-11(5-7-18)17-21(19,20)14-9-13(16)12(15)8-10(14)2/h8-9,11,17H,3-7,16H2,1-2H3.
What are the key properties of 5-amino-4-bromo-N-(1-ethylpiperidin-4-yl)-2-methylbenzenesulfonamide?
5-amino-4-bromo-N-(1-ethylpiperidin-4-yl)-2-methylbenzenesulfonamide has a molecular weight of 376.32 g/mol, XLogP of 2.10, 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-N-(1-ethylpiperidin-4-yl)-2-methylbenzenesulfonamide is sourced from PubChem (CID 114625369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).