N-[4-(chloromethyl)phenyl]pyridine-3-sulfonamide

C12H11ClN2O2S — CID 65031220

IUPACN-[4-(chloromethyl)phenyl]pyridine-3-sulfonamide
SMILESO=S(=O)(Nc1ccc(CCl)cc1)c1cccnc1
InChIInChI=1S/C12H11ClN2O2S/c13-8-10-3-5-11(6-4-10)15-18(16,17)12-2-1-7-14-9-12/h1-7,9,15H,8H2
InChIKeyBXQBPIVNYXTQQP-UHFFFAOYSA-N
MW282.75 g/mol
LogP2.62
Rot. Bonds4

About N-[4-(chloromethyl)phenyl]pyridine-3-sulfonamide

N-[4-(chloromethyl)phenyl]pyridine-3-sulfonamide (PubChem CID 65031220) has the molecular formula C12H11ClN2O2S and a molecular weight of 282.75 g/mol. Its IUPAC name is N-[4-(chloromethyl)phenyl]pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-[4-(chloromethyl)phenyl]pyridine-3-sulfonamide
PubChem CID65031220
Molecular FormulaC12H11ClN2O2S
Molecular Weight282.75 g/mol
Exact Mass282.02
IUPAC NameN-[4-(chloromethyl)phenyl]pyridine-3-sulfonamide
SMILESO=S(=O)(Nc1ccc(CCl)cc1)c1cccnc1
InChIInChI=1S/C12H11ClN2O2S/c13-8-10-3-5-11(6-4-10)15-18(16,17)12-2-1-7-14-9-12/h1-7,9,15H,8H2
InChIKeyBXQBPIVNYXTQQP-UHFFFAOYSA-N
XLogP2.62
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.75
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(4-propan-2-ylphenyl)pyridine-3-sulfonamide
CID 110865791
N-(3-iodophenyl)pyridine-3-sulfonamide
CID 61400317
4-chloro-N-[4-(chloromethyl)phenyl]benzenesulfonamide
CID 65031117
N-[4-(4-methyl-3-pyridinyl)phenyl]pyridine-3-sulfonamide
CID 56652325
N-(1-chloropropan-2-yl)pyridine-3-sulfonamide
CID 65030805
N-[4-(4,5-dichloroimidazol-1-yl)phenyl]pyridine-3-sulfonamide
CID 25036762
N-[4-[2-(4-phenylpiperazin-1-yl)ethyl]phenyl]pyridine-3-sulfonamide;hydrochloride
CID 121256309
N-(3-chloro-4-methoxyphenyl)pyridine-3-sulfonamide
CID 110865835
N-[5-(aminomethyl)-2-pyridinyl]pyridine-3-sulfonamide
CID 62353333
N-(3,4-dimethoxyphenyl)pyridine-3-sulfonamide
CID 25048223
[4-(chloromethyl)phenyl]sulfamic acid
CID 67380379
N-(4-methyl-3-sulfamoylphenyl)pyridine-3-sulfonamide
CID 61131422

Frequently Asked Questions

What is the IUPAC name of N-[4-(chloromethyl)phenyl]pyridine-3-sulfonamide?
The IUPAC name of N-[4-(chloromethyl)phenyl]pyridine-3-sulfonamide (CID 65031220) is N-[4-(chloromethyl)phenyl]pyridine-3-sulfonamide.
What is the SMILES notation for N-[4-(chloromethyl)phenyl]pyridine-3-sulfonamide?
The canonical SMILES for N-[4-(chloromethyl)phenyl]pyridine-3-sulfonamide is O=S(=O)(Nc1ccc(CCl)cc1)c1cccnc1.
What is the InChIKey of N-[4-(chloromethyl)phenyl]pyridine-3-sulfonamide?
The InChIKey is BXQBPIVNYXTQQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2O2S/c13-8-10-3-5-11(6-4-10)15-18(16,17)12-2-1-7-14-9-12/h1-7,9,15H,8H2.
What are the key properties of N-[4-(chloromethyl)phenyl]pyridine-3-sulfonamide?
N-[4-(chloromethyl)phenyl]pyridine-3-sulfonamide has a molecular weight of 282.75 g/mol, XLogP of 2.62, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(chloromethyl)phenyl]pyridine-3-sulfonamide is sourced from PubChem (CID 65031220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).