4-(bromomethyl)-N-[1-(hydroxymethyl)cyclopentyl]benzenesulfonamide

C13H18BrNO3S — CID 65481622

IUPAC4-(bromomethyl)-N-[1-(hydroxymethyl)cyclopentyl]benzenesulfonamide
SMILESO=S(=O)(NC1(CO)CCCC1)c1ccc(CBr)cc1
InChIInChI=1S/C13H18BrNO3S/c14-9-11-3-5-12(6-4-11)19(17,18)15-13(10-16)7-1-2-8-13/h3-6,15-16H,1-2,7-10H2
InChIKeySNUZVKAPGLPTIK-UHFFFAOYSA-N
MW348.26 g/mol
LogP2.16
Rot. Bonds5

About 4-(bromomethyl)-N-[1-(hydroxymethyl)cyclopentyl]benzenesulfonamide

4-(bromomethyl)-N-[1-(hydroxymethyl)cyclopentyl]benzenesulfonamide (PubChem CID 65481622) has the molecular formula C13H18BrNO3S and a molecular weight of 348.26 g/mol. Its IUPAC name is 4-(bromomethyl)-N-[1-(hydroxymethyl)cyclopentyl]benzenesulfonamide.

Molecular Properties

Compound Name4-(bromomethyl)-N-[1-(hydroxymethyl)cyclopentyl]benzenesulfonamide
PubChem CID65481622
Molecular FormulaC13H18BrNO3S
Molecular Weight348.26 g/mol
Exact Mass347.02
IUPAC Name4-(bromomethyl)-N-[1-(hydroxymethyl)cyclopentyl]benzenesulfonamide
SMILESO=S(=O)(NC1(CO)CCCC1)c1ccc(CBr)cc1
InChIInChI=1S/C13H18BrNO3S/c14-9-11-3-5-12(6-4-11)19(17,18)15-13(10-16)7-1-2-8-13/h3-6,15-16H,1-2,7-10H2
InChIKeySNUZVKAPGLPTIK-UHFFFAOYSA-N
XLogP2.16
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.26
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(bromomethyl)-N-[1-(hydroxymethyl)cyclopentyl]benzenesulfonamide?
The IUPAC name of 4-(bromomethyl)-N-[1-(hydroxymethyl)cyclopentyl]benzenesulfonamide (CID 65481622) is 4-(bromomethyl)-N-[1-(hydroxymethyl)cyclopentyl]benzenesulfonamide.
What is the SMILES notation for 4-(bromomethyl)-N-[1-(hydroxymethyl)cyclopentyl]benzenesulfonamide?
The canonical SMILES for 4-(bromomethyl)-N-[1-(hydroxymethyl)cyclopentyl]benzenesulfonamide is O=S(=O)(NC1(CO)CCCC1)c1ccc(CBr)cc1.
What is the InChIKey of 4-(bromomethyl)-N-[1-(hydroxymethyl)cyclopentyl]benzenesulfonamide?
The InChIKey is SNUZVKAPGLPTIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrNO3S/c14-9-11-3-5-12(6-4-11)19(17,18)15-13(10-16)7-1-2-8-13/h3-6,15-16H,1-2,7-10H2.
What are the key properties of 4-(bromomethyl)-N-[1-(hydroxymethyl)cyclopentyl]benzenesulfonamide?
4-(bromomethyl)-N-[1-(hydroxymethyl)cyclopentyl]benzenesulfonamide has a molecular weight of 348.26 g/mol, XLogP of 2.16, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(bromomethyl)-N-[1-(hydroxymethyl)cyclopentyl]benzenesulfonamide is sourced from PubChem (CID 65481622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).