4-bromo-N-[1-(hydroxymethyl)cyclopropyl]-3-methylbenzenesulfonamide

C11H14BrNO3S — CID 115902821

IUPAC4-bromo-N-[1-(hydroxymethyl)cyclopropyl]-3-methylbenzenesulfonamide
SMILESCc1cc(S(=O)(=O)NC2(CO)CC2)ccc1Br
InChIInChI=1S/C11H14BrNO3S/c1-8-6-9(2-3-10(8)12)17(15,16)13-11(7-14)4-5-11/h2-3,6,13-14H,4-5,7H2,1H3
InChIKeyLNJDBPUDUXLKIQ-UHFFFAOYSA-N
MW320.21 g/mol
LogP1.56
Rot. Bonds4

About 4-bromo-N-[1-(hydroxymethyl)cyclopropyl]-3-methylbenzenesulfonamide

4-bromo-N-[1-(hydroxymethyl)cyclopropyl]-3-methylbenzenesulfonamide (PubChem CID 115902821) has the molecular formula C11H14BrNO3S and a molecular weight of 320.21 g/mol. Its IUPAC name is 4-bromo-N-[1-(hydroxymethyl)cyclopropyl]-3-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-bromo-N-[1-(hydroxymethyl)cyclopropyl]-3-methylbenzenesulfonamide
PubChem CID115902821
Molecular FormulaC11H14BrNO3S
Molecular Weight320.21 g/mol
Exact Mass318.99
IUPAC Name4-bromo-N-[1-(hydroxymethyl)cyclopropyl]-3-methylbenzenesulfonamide
SMILESCc1cc(S(=O)(=O)NC2(CO)CC2)ccc1Br
InChIInChI=1S/C11H14BrNO3S/c1-8-6-9(2-3-10(8)12)17(15,16)13-11(7-14)4-5-11/h2-3,6,13-14H,4-5,7H2,1H3
InChIKeyLNJDBPUDUXLKIQ-UHFFFAOYSA-N
XLogP1.56
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.21
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-bromo-N-[1-(hydroxymethyl)cyclopropyl]-3-methylbenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-bromo-N-[1-(hydroxymethyl)cyclopropyl]-4-methoxybenzenesulfonamide
CID 115902962
N-[1-(hydroxymethyl)cyclobutyl]-3-methyl-4-propan-2-yloxybenzenesulfonamide
CID 115903060
4-N-[1-(hydroxymethyl)cyclopropyl]-1-N-methylbenzene-1,4-disulfonamide
CID 115902832
4-bromo-3-methyl-N-[1-(trifluoromethyl)cyclopropyl]benzenesulfonamide
CID 106214877
N-[1-(hydroxymethyl)cyclopentyl]-4-methyl-3-nitrobenzenesulfonamide
CID 62522303
3-fluoro-N-[1-(hydroxymethyl)-4-methylcyclohexyl]-4-methylbenzenesulfonamide
CID 62525308
N-[1-(hydroxymethyl)cyclopropyl]-2,4-dimethylbenzenesulfonamide
CID 113351337
4-bromo-N-[1-(hydroxymethyl)cyclopropyl]-3-methylbenzamide
CID 115877703
N-[1-(hydroxymethyl)cyclopropyl]-2,5-dimethylbenzenesulfonamide
CID 115902945
4-N-[1-(hydroxymethyl)cyclobutyl]-1-N-methylbenzene-1,4-disulfonamide
CID 115903007
N-[1-(hydroxymethyl)cyclopropyl]-2-methylbenzenesulfonamide
CID 115902909
4-cyano-N-[1-(hydroxymethyl)cyclopropyl]benzenesulfonamide
CID 115902827

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[1-(hydroxymethyl)cyclopropyl]-3-methylbenzenesulfonamide?
The IUPAC name of 4-bromo-N-[1-(hydroxymethyl)cyclopropyl]-3-methylbenzenesulfonamide (CID 115902821) is 4-bromo-N-[1-(hydroxymethyl)cyclopropyl]-3-methylbenzenesulfonamide.
What is the SMILES notation for 4-bromo-N-[1-(hydroxymethyl)cyclopropyl]-3-methylbenzenesulfonamide?
The canonical SMILES for 4-bromo-N-[1-(hydroxymethyl)cyclopropyl]-3-methylbenzenesulfonamide is Cc1cc(S(=O)(=O)NC2(CO)CC2)ccc1Br.
What is the InChIKey of 4-bromo-N-[1-(hydroxymethyl)cyclopropyl]-3-methylbenzenesulfonamide?
The InChIKey is LNJDBPUDUXLKIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrNO3S/c1-8-6-9(2-3-10(8)12)17(15,16)13-11(7-14)4-5-11/h2-3,6,13-14H,4-5,7H2,1H3.
What are the key properties of 4-bromo-N-[1-(hydroxymethyl)cyclopropyl]-3-methylbenzenesulfonamide?
4-bromo-N-[1-(hydroxymethyl)cyclopropyl]-3-methylbenzenesulfonamide has a molecular weight of 320.21 g/mol, XLogP of 1.56, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[1-(hydroxymethyl)cyclopropyl]-3-methylbenzenesulfonamide is sourced from PubChem (CID 115902821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).