4-(bromomethyl)-N-[(1-hydroxycycloheptyl)methyl]benzenesulfonamide

C15H22BrNO3S — CID 65481634

IUPAC4-(bromomethyl)-N-[(1-hydroxycycloheptyl)methyl]benzenesulfonamide
SMILESO=S(=O)(NCC1(O)CCCCCC1)c1ccc(CBr)cc1
InChIInChI=1S/C15H22BrNO3S/c16-11-13-5-7-14(8-6-13)21(19,20)17-12-15(18)9-3-1-2-4-10-15/h5-8,17-18H,1-4,9-12H2
InChIKeyZPOMTXITEPUTQY-UHFFFAOYSA-N
MW376.32 g/mol
LogP2.95
Rot. Bonds5

About 4-(bromomethyl)-N-[(1-hydroxycycloheptyl)methyl]benzenesulfonamide

4-(bromomethyl)-N-[(1-hydroxycycloheptyl)methyl]benzenesulfonamide (PubChem CID 65481634) has the molecular formula C15H22BrNO3S and a molecular weight of 376.32 g/mol. Its IUPAC name is 4-(bromomethyl)-N-[(1-hydroxycycloheptyl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-(bromomethyl)-N-[(1-hydroxycycloheptyl)methyl]benzenesulfonamide
PubChem CID65481634
Molecular FormulaC15H22BrNO3S
Molecular Weight376.32 g/mol
Exact Mass375.05
IUPAC Name4-(bromomethyl)-N-[(1-hydroxycycloheptyl)methyl]benzenesulfonamide
SMILESO=S(=O)(NCC1(O)CCCCCC1)c1ccc(CBr)cc1
InChIInChI=1S/C15H22BrNO3S/c16-11-13-5-7-14(8-6-13)21(19,20)17-12-15(18)9-3-1-2-4-10-15/h5-8,17-18H,1-4,9-12H2
InChIKeyZPOMTXITEPUTQY-UHFFFAOYSA-N
XLogP2.95
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.32
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-(bromomethyl)-N-[(1-hydroxycycloheptyl)methyl]benzenesulfonamide 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

4-chloro-N-[(1-hydroxycyclohexyl)methyl]benzenesulfonamide
CID 6737413
4-(bromomethyl)-N-[(1-methylcyclopentyl)methyl]benzenesulfonamide
CID 65481827
N-[(1-hydroxycyclopentyl)methyl]-4-(2-methylpropyl)benzenesulfonamide
CID 65112746
4-cyano-N-[(1-hydroxycyclopentyl)methyl]benzenesulfonamide
CID 65113107
4-amino-3-bromo-N-[(1-hydroxycycloheptyl)methyl]benzenesulfonamide
CID 65123279
3,4-dichloro-N-[(1-hydroxycyclohexyl)methyl]benzenesulfonamide
CID 65117612
6-amino-N-[(1-hydroxycyclohexyl)methyl]pyridine-3-sulfonamide
CID 65102882
methyl 4-[(1-hydroxycyclopentyl)methylsulfamoyl]benzoate
CID 65112879
3-bromo-N-[(1-hydroxycycloheptyl)methyl]benzenesulfonamide
CID 65122167
6-cyano-N-[(1-hydroxycyclohexyl)methyl]pyridine-3-sulfonamide
CID 115754039
4-(bromomethyl)-N-[1-(hydroxymethyl)cyclopentyl]benzenesulfonamide
CID 65481622
4-bromo-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]benzenesulfonamide
CID 65121490

Frequently Asked Questions

What is the IUPAC name of 4-(bromomethyl)-N-[(1-hydroxycycloheptyl)methyl]benzenesulfonamide?
The IUPAC name of 4-(bromomethyl)-N-[(1-hydroxycycloheptyl)methyl]benzenesulfonamide (CID 65481634) is 4-(bromomethyl)-N-[(1-hydroxycycloheptyl)methyl]benzenesulfonamide.
What is the SMILES notation for 4-(bromomethyl)-N-[(1-hydroxycycloheptyl)methyl]benzenesulfonamide?
The canonical SMILES for 4-(bromomethyl)-N-[(1-hydroxycycloheptyl)methyl]benzenesulfonamide is O=S(=O)(NCC1(O)CCCCCC1)c1ccc(CBr)cc1.
What is the InChIKey of 4-(bromomethyl)-N-[(1-hydroxycycloheptyl)methyl]benzenesulfonamide?
The InChIKey is ZPOMTXITEPUTQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrNO3S/c16-11-13-5-7-14(8-6-13)21(19,20)17-12-15(18)9-3-1-2-4-10-15/h5-8,17-18H,1-4,9-12H2.
What are the key properties of 4-(bromomethyl)-N-[(1-hydroxycycloheptyl)methyl]benzenesulfonamide?
4-(bromomethyl)-N-[(1-hydroxycycloheptyl)methyl]benzenesulfonamide has a molecular weight of 376.32 g/mol, XLogP of 2.95, 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-hydroxycycloheptyl)methyl]benzenesulfonamide is sourced from PubChem (CID 65481634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).