5-amino-4-bromo-2-methoxy-N-[(1-methylcyclopentyl)methyl]benzenesulfonamide

C14H21BrN2O3S — CID 81397762

IUPAC5-amino-4-bromo-2-methoxy-N-[(1-methylcyclopentyl)methyl]benzenesulfonamide
SMILESCOc1cc(Br)c(N)cc1S(=O)(=O)NCC1(C)CCCC1
InChIInChI=1S/C14H21BrN2O3S/c1-14(5-3-4-6-14)9-17-21(18,19)13-8-11(16)10(15)7-12(13)20-2/h7-8,17H,3-6,9,16H2,1-2H3
InChIKeyFZUAJFWREYJKAE-UHFFFAOYSA-N
MW377.30 g/mol
LogP2.90
Rot. Bonds5

About 5-amino-4-bromo-2-methoxy-N-[(1-methylcyclopentyl)methyl]benzenesulfonamide

5-amino-4-bromo-2-methoxy-N-[(1-methylcyclopentyl)methyl]benzenesulfonamide (PubChem CID 81397762) has the molecular formula C14H21BrN2O3S and a molecular weight of 377.30 g/mol. Its IUPAC name is 5-amino-4-bromo-2-methoxy-N-[(1-methylcyclopentyl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name5-amino-4-bromo-2-methoxy-N-[(1-methylcyclopentyl)methyl]benzenesulfonamide
PubChem CID81397762
Molecular FormulaC14H21BrN2O3S
Molecular Weight377.30 g/mol
Exact Mass376.05
IUPAC Name5-amino-4-bromo-2-methoxy-N-[(1-methylcyclopentyl)methyl]benzenesulfonamide
SMILESCOc1cc(Br)c(N)cc1S(=O)(=O)NCC1(C)CCCC1
InChIInChI=1S/C14H21BrN2O3S/c1-14(5-3-4-6-14)9-17-21(18,19)13-8-11(16)10(15)7-12(13)20-2/h7-8,17H,3-6,9,16H2,1-2H3
InChIKeyFZUAJFWREYJKAE-UHFFFAOYSA-N
XLogP2.90
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.30
LogP ≤ 52.90
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-ethyl-2-methoxybenzenesulfonamide
CID 81414565
5-amino-4-bromo-2-methoxy-N-(1-methylcyclopropyl)benzenesulfonamide
CID 113485245
5-amino-4-bromo-2-methoxy-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide
CID 81397573
5-amino-4-bromo-2-methoxy-N-prop-2-enylbenzenesulfonamide
CID 81414818
5-amino-4-bromo-N-(2-hydroxy-2-methylpropyl)-2-methoxybenzenesulfonamide
CID 81413927
5-amino-4-bromo-2-methoxy-N-(thiolan-2-ylmethyl)benzenesulfonamide
CID 81414086
5-amino-4-bromo-N-(2,2-dimethylcyclopropyl)-2-methoxybenzenesulfonamide
CID 81414164
5-amino-4-bromo-N-(2,2-dimethylbutyl)-2-methoxybenzenesulfonamide
CID 103460098
5-amino-4-bromo-2-methoxy-N-(2,2,3,3-tetramethylcyclopropyl)benzenesulfonamide
CID 81397159
2-[(5-amino-4-bromo-2-methoxyphenyl)sulfonylamino]-N-methylacetamide
CID 81414077
5-amino-4-bromo-N-[(3-hydroxycyclobutyl)methyl]-2-methoxybenzenesulfonamide
CID 81414494
5-amino-4-bromo-2-methoxy-N-pentan-3-ylbenzenesulfonamide
CID 81414481

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-bromo-2-methoxy-N-[(1-methylcyclopentyl)methyl]benzenesulfonamide?
The IUPAC name of 5-amino-4-bromo-2-methoxy-N-[(1-methylcyclopentyl)methyl]benzenesulfonamide (CID 81397762) is 5-amino-4-bromo-2-methoxy-N-[(1-methylcyclopentyl)methyl]benzenesulfonamide.
What is the SMILES notation for 5-amino-4-bromo-2-methoxy-N-[(1-methylcyclopentyl)methyl]benzenesulfonamide?
The canonical SMILES for 5-amino-4-bromo-2-methoxy-N-[(1-methylcyclopentyl)methyl]benzenesulfonamide is COc1cc(Br)c(N)cc1S(=O)(=O)NCC1(C)CCCC1.
What is the InChIKey of 5-amino-4-bromo-2-methoxy-N-[(1-methylcyclopentyl)methyl]benzenesulfonamide?
The InChIKey is FZUAJFWREYJKAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrN2O3S/c1-14(5-3-4-6-14)9-17-21(18,19)13-8-11(16)10(15)7-12(13)20-2/h7-8,17H,3-6,9,16H2,1-2H3.
What are the key properties of 5-amino-4-bromo-2-methoxy-N-[(1-methylcyclopentyl)methyl]benzenesulfonamide?
5-amino-4-bromo-2-methoxy-N-[(1-methylcyclopentyl)methyl]benzenesulfonamide has a molecular weight of 377.30 g/mol, XLogP of 2.90, 5 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-methoxy-N-[(1-methylcyclopentyl)methyl]benzenesulfonamide is sourced from PubChem (CID 81397762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).