N-[[3-(chloromethyl)phenyl]methyl]thiophene-2-sulfonamide

C12H12ClNO2S2 — CID 65032752

IUPACN-[[3-(chloromethyl)phenyl]methyl]thiophene-2-sulfonamide
SMILESO=S(=O)(NCc1cccc(CCl)c1)c1cccs1
InChIInChI=1S/C12H12ClNO2S2/c13-8-10-3-1-4-11(7-10)9-14-18(15,16)12-5-2-6-17-12/h1-7,14H,8-9H2
InChIKeyIWHGSXCMIINTES-UHFFFAOYSA-N
MW301.82 g/mol
LogP2.97
Rot. Bonds5

About N-[[3-(chloromethyl)phenyl]methyl]thiophene-2-sulfonamide

N-[[3-(chloromethyl)phenyl]methyl]thiophene-2-sulfonamide (PubChem CID 65032752) has the molecular formula C12H12ClNO2S2 and a molecular weight of 301.82 g/mol. Its IUPAC name is N-[[3-(chloromethyl)phenyl]methyl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[[3-(chloromethyl)phenyl]methyl]thiophene-2-sulfonamide
PubChem CID65032752
Molecular FormulaC12H12ClNO2S2
Molecular Weight301.82 g/mol
Exact Mass301.00
IUPAC NameN-[[3-(chloromethyl)phenyl]methyl]thiophene-2-sulfonamide
SMILESO=S(=O)(NCc1cccc(CCl)c1)c1cccs1
InChIInChI=1S/C12H12ClNO2S2/c13-8-10-3-1-4-11(7-10)9-14-18(15,16)12-5-2-6-17-12/h1-7,14H,8-9H2
InChIKeyIWHGSXCMIINTES-UHFFFAOYSA-N
XLogP2.97
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.82
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[[3-(chloromethyl)phenyl]methyl]thiophene-2-sulfonamide 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

N-[(3,4,5-trifluorophenyl)methyl]thiophene-2-sulfonamide
CID 3807214
N-[(3-chloro-4-methoxyphenyl)methyl]thiophene-2-sulfonamide
CID 110780125
N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]thiophene-2-sulfonamide
CID 94136143
N-[[3,5-bis(trifluoromethyl)phenyl]methyl]thiophene-2-sulfonamide
CID 3271736
N-[[3-(chloromethyl)phenyl]methyl]-4-methylbenzenesulfonamide
CID 65032501
N-[2-(3-chlorophenyl)ethyl]thiophene-2-sulfonamide
CID 9301774
N-[[3-(chloromethyl)phenyl]methyl]-2-fluorobenzenesulfonamide
CID 65032551
3,4-dichloro-N-[[3-(chloromethyl)phenyl]methyl]benzenesulfonamide
CID 65032700
N-[(4-ethoxy-3-fluorophenyl)methyl]thiophene-2-sulfonamide
CID 110782022
N-[[3-(chloromethyl)phenyl]methyl]-1H-pyrazole-4-sulfonamide
CID 65032352
N-[(1-methyl-2-oxo-3H-indol-5-yl)methyl]thiophene-2-sulfonamide
CID 110781511
N-[2-methoxy-5-[(thiophen-2-ylsulfonylamino)methyl]phenyl]acetamide
CID 110783971

Frequently Asked Questions

What is the IUPAC name of N-[[3-(chloromethyl)phenyl]methyl]thiophene-2-sulfonamide?
The IUPAC name of N-[[3-(chloromethyl)phenyl]methyl]thiophene-2-sulfonamide (CID 65032752) is N-[[3-(chloromethyl)phenyl]methyl]thiophene-2-sulfonamide.
What is the SMILES notation for N-[[3-(chloromethyl)phenyl]methyl]thiophene-2-sulfonamide?
The canonical SMILES for N-[[3-(chloromethyl)phenyl]methyl]thiophene-2-sulfonamide is O=S(=O)(NCc1cccc(CCl)c1)c1cccs1.
What is the InChIKey of N-[[3-(chloromethyl)phenyl]methyl]thiophene-2-sulfonamide?
The InChIKey is IWHGSXCMIINTES-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClNO2S2/c13-8-10-3-1-4-11(7-10)9-14-18(15,16)12-5-2-6-17-12/h1-7,14H,8-9H2.
What are the key properties of N-[[3-(chloromethyl)phenyl]methyl]thiophene-2-sulfonamide?
N-[[3-(chloromethyl)phenyl]methyl]thiophene-2-sulfonamide has a molecular weight of 301.82 g/mol, XLogP of 2.97, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(chloromethyl)phenyl]methyl]thiophene-2-sulfonamide is sourced from PubChem (CID 65032752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).