5-amino-2-bromo-N-(2-methylcyclopropyl)benzenesulfonamide

C10H13BrN2O2S — CID 65207075

IUPAC5-amino-2-bromo-N-(2-methylcyclopropyl)benzenesulfonamide
SMILESCC1CC1NS(=O)(=O)c1cc(N)ccc1Br
InChIInChI=1S/C10H13BrN2O2S/c1-6-4-9(6)13-16(14,15)10-5-7(12)2-3-8(10)11/h2-3,5-6,9,13H,4,12H2,1H3
InChIKeyKVASUTTXJHDFFK-UHFFFAOYSA-N
MW305.20 g/mol
LogP1.72
Rot. Bonds3

About 5-amino-2-bromo-N-(2-methylcyclopropyl)benzenesulfonamide

5-amino-2-bromo-N-(2-methylcyclopropyl)benzenesulfonamide (PubChem CID 65207075) has the molecular formula C10H13BrN2O2S and a molecular weight of 305.20 g/mol. Its IUPAC name is 5-amino-2-bromo-N-(2-methylcyclopropyl)benzenesulfonamide.

Molecular Properties

Compound Name5-amino-2-bromo-N-(2-methylcyclopropyl)benzenesulfonamide
PubChem CID65207075
Molecular FormulaC10H13BrN2O2S
Molecular Weight305.20 g/mol
Exact Mass303.99
IUPAC Name5-amino-2-bromo-N-(2-methylcyclopropyl)benzenesulfonamide
SMILESCC1CC1NS(=O)(=O)c1cc(N)ccc1Br
InChIInChI=1S/C10H13BrN2O2S/c1-6-4-9(6)13-16(14,15)10-5-7(12)2-3-8(10)11/h2-3,5-6,9,13H,4,12H2,1H3
InChIKeyKVASUTTXJHDFFK-UHFFFAOYSA-N
XLogP1.72
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.20
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-amino-2-bromo-N-(3,4-dimethylcyclohexyl)benzenesulfonamide
CID 65206704
5-amino-2-bromo-N-(3-hydroxy-2,2-dimethylcyclobutyl)benzenesulfonamide
CID 114628382
5-amino-2-bromo-N-methylbenzenesulfonamide
CID 65201802
5-amino-2-bromo-N-(dicyclopropylmethyl)benzenesulfonamide
CID 65206493
4-amino-2-bromo-N-(2-methylcyclohexyl)benzenesulfonamide
CID 43256037
5-amino-2-bromo-N-propylbenzenesulfonamide
CID 65202371
5-amino-2-chloro-N-(2,3-dimethylcyclopentyl)benzenesulfonamide
CID 64909057
5-amino-2-bromo-N',N'-dimethylbenzenesulfonohydrazide
CID 83013292
5-amino-3-chloro-2-fluoro-N-(2-methylcyclopropyl)benzenesulfonamide
CID 55071329
N-(2-aminocyclopropyl)-2,5-dibromobenzenesulfonamide
CID 43596915
5-amino-N-(2,3-dimethylcyclopentyl)-2-nitrobenzenesulfonamide
CID 64923648
5-(aminomethyl)-2-bromo-N-(2,4-dimethylcyclohexyl)benzenesulfonamide
CID 106063422

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-bromo-N-(2-methylcyclopropyl)benzenesulfonamide?
The IUPAC name of 5-amino-2-bromo-N-(2-methylcyclopropyl)benzenesulfonamide (CID 65207075) is 5-amino-2-bromo-N-(2-methylcyclopropyl)benzenesulfonamide.
What is the SMILES notation for 5-amino-2-bromo-N-(2-methylcyclopropyl)benzenesulfonamide?
The canonical SMILES for 5-amino-2-bromo-N-(2-methylcyclopropyl)benzenesulfonamide is CC1CC1NS(=O)(=O)c1cc(N)ccc1Br.
What is the InChIKey of 5-amino-2-bromo-N-(2-methylcyclopropyl)benzenesulfonamide?
The InChIKey is KVASUTTXJHDFFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrN2O2S/c1-6-4-9(6)13-16(14,15)10-5-7(12)2-3-8(10)11/h2-3,5-6,9,13H,4,12H2,1H3.
What are the key properties of 5-amino-2-bromo-N-(2-methylcyclopropyl)benzenesulfonamide?
5-amino-2-bromo-N-(2-methylcyclopropyl)benzenesulfonamide has a molecular weight of 305.20 g/mol, XLogP of 1.72, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-bromo-N-(2-methylcyclopropyl)benzenesulfonamide is sourced from PubChem (CID 65207075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).