N-(3-bromo-2-hydroxy-5-methylphenyl)cyclopropanesulfonamide

C10H12BrNO3S — CID 146133038

IUPACN-(3-bromo-2-hydroxy-5-methylphenyl)cyclopropanesulfonamide
SMILESCc1cc(Br)c(O)c(NS(=O)(=O)C2CC2)c1
InChIInChI=1S/C10H12BrNO3S/c1-6-4-8(11)10(13)9(5-6)12-16(14,15)7-2-3-7/h4-5,7,12-13H,2-3H2,1H3
InChIKeyBSFZAWKKYSYTPT-UHFFFAOYSA-N
MW306.18 g/mol
LogP2.37
Rot. Bonds3

About N-(3-bromo-2-hydroxy-5-methylphenyl)cyclopropanesulfonamide

N-(3-bromo-2-hydroxy-5-methylphenyl)cyclopropanesulfonamide (PubChem CID 146133038) has the molecular formula C10H12BrNO3S and a molecular weight of 306.18 g/mol. Its IUPAC name is N-(3-bromo-2-hydroxy-5-methylphenyl)cyclopropanesulfonamide.

Molecular Properties

Compound NameN-(3-bromo-2-hydroxy-5-methylphenyl)cyclopropanesulfonamide
PubChem CID146133038
Molecular FormulaC10H12BrNO3S
Molecular Weight306.18 g/mol
Exact Mass304.97
IUPAC NameN-(3-bromo-2-hydroxy-5-methylphenyl)cyclopropanesulfonamide
SMILESCc1cc(Br)c(O)c(NS(=O)(=O)C2CC2)c1
InChIInChI=1S/C10H12BrNO3S/c1-6-4-8(11)10(13)9(5-6)12-16(14,15)7-2-3-7/h4-5,7,12-13H,2-3H2,1H3
InChIKeyBSFZAWKKYSYTPT-UHFFFAOYSA-N
XLogP2.37
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.18
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-2-hydroxy-5-methylphenyl)cyclopropanesulfonamide?
The IUPAC name of N-(3-bromo-2-hydroxy-5-methylphenyl)cyclopropanesulfonamide (CID 146133038) is N-(3-bromo-2-hydroxy-5-methylphenyl)cyclopropanesulfonamide.
What is the SMILES notation for N-(3-bromo-2-hydroxy-5-methylphenyl)cyclopropanesulfonamide?
The canonical SMILES for N-(3-bromo-2-hydroxy-5-methylphenyl)cyclopropanesulfonamide is Cc1cc(Br)c(O)c(NS(=O)(=O)C2CC2)c1.
What is the InChIKey of N-(3-bromo-2-hydroxy-5-methylphenyl)cyclopropanesulfonamide?
The InChIKey is BSFZAWKKYSYTPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrNO3S/c1-6-4-8(11)10(13)9(5-6)12-16(14,15)7-2-3-7/h4-5,7,12-13H,2-3H2,1H3.
What are the key properties of N-(3-bromo-2-hydroxy-5-methylphenyl)cyclopropanesulfonamide?
N-(3-bromo-2-hydroxy-5-methylphenyl)cyclopropanesulfonamide has a molecular weight of 306.18 g/mol, XLogP of 2.37, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-2-hydroxy-5-methylphenyl)cyclopropanesulfonamide is sourced from PubChem (CID 146133038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).