N-[3-(chloromethyl)phenyl]benzenesulfonamide

C13H12ClNO2S — CID 65033363

IUPACN-[3-(chloromethyl)phenyl]benzenesulfonamide
SMILESO=S(=O)(Nc1cccc(CCl)c1)c1ccccc1
InChIInChI=1S/C13H12ClNO2S/c14-10-11-5-4-6-12(9-11)15-18(16,17)13-7-2-1-3-8-13/h1-9,15H,10H2
InChIKeyFNKROXJVINCDFW-UHFFFAOYSA-N
MW281.76 g/mol
LogP3.23
Rot. Bonds4

About N-[3-(chloromethyl)phenyl]benzenesulfonamide

N-[3-(chloromethyl)phenyl]benzenesulfonamide (PubChem CID 65033363) has the molecular formula C13H12ClNO2S and a molecular weight of 281.76 g/mol. Its IUPAC name is N-[3-(chloromethyl)phenyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[3-(chloromethyl)phenyl]benzenesulfonamide
PubChem CID65033363
Molecular FormulaC13H12ClNO2S
Molecular Weight281.76 g/mol
Exact Mass281.03
IUPAC NameN-[3-(chloromethyl)phenyl]benzenesulfonamide
SMILESO=S(=O)(Nc1cccc(CCl)c1)c1ccccc1
InChIInChI=1S/C13H12ClNO2S/c14-10-11-5-4-6-12(9-11)15-18(16,17)13-7-2-1-3-8-13/h1-9,15H,10H2
InChIKeyFNKROXJVINCDFW-UHFFFAOYSA-N
XLogP3.23
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.76
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(3-benzylphenyl)benzenesulfonamide
CID 3258853
N-[3-(sulfamoylmethyl)phenyl]benzenesulfonamide
CID 51097761
N-(3-propylphenyl)benzenesulfonamide
CID 71064838
N-[3-(3-aminopropyl)phenyl]benzenesulfonamide
CID 11849197
N-(3-benzylphenyl)-4-methylbenzenesulfonamide
CID 3765217
N-[3-[(E)-pent-3-enyl]phenyl]benzenesulfonamide
CID 141178655
N-(3-benzylphenyl)-3,4-dichlorobenzenesulfonamide
CID 3858982
2,4-dichloro-N-[3-(chloromethyl)phenyl]-3-fluorobenzenesulfonamide
CID 103089625
2-chloro-N-[3-(chloromethyl)phenyl]-5-fluorobenzenesulfonamide
CID 105400633
4-(benzenesulfonamido)-N-phenylbenzenesulfonamide
CID 1333712
N-[[3-(benzenesulfonamido)phenyl]methyl]-N-methylprop-2-enamide
CID 154760114
N-(3-benzylphenyl)-3-chloro-4-fluorobenzenesulfonamide
CID 3719426

Frequently Asked Questions

What is the IUPAC name of N-[3-(chloromethyl)phenyl]benzenesulfonamide?
The IUPAC name of N-[3-(chloromethyl)phenyl]benzenesulfonamide (CID 65033363) is N-[3-(chloromethyl)phenyl]benzenesulfonamide.
What is the SMILES notation for N-[3-(chloromethyl)phenyl]benzenesulfonamide?
The canonical SMILES for N-[3-(chloromethyl)phenyl]benzenesulfonamide is O=S(=O)(Nc1cccc(CCl)c1)c1ccccc1.
What is the InChIKey of N-[3-(chloromethyl)phenyl]benzenesulfonamide?
The InChIKey is FNKROXJVINCDFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClNO2S/c14-10-11-5-4-6-12(9-11)15-18(16,17)13-7-2-1-3-8-13/h1-9,15H,10H2.
What are the key properties of N-[3-(chloromethyl)phenyl]benzenesulfonamide?
N-[3-(chloromethyl)phenyl]benzenesulfonamide has a molecular weight of 281.76 g/mol, XLogP of 3.23, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(chloromethyl)phenyl]benzenesulfonamide is sourced from PubChem (CID 65033363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).