2,3-dichloro-N-(pyridin-4-ylmethyl)benzenesulfonamide

C12H10Cl2N2O2S — CID 2127166

IUPAC2,3-dichloro-N-(pyridin-4-ylmethyl)benzenesulfonamide
SMILESO=S(=O)(NCc1ccncc1)c1cccc(Cl)c1Cl
InChIInChI=1S/C12H10Cl2N2O2S/c13-10-2-1-3-11(12(10)14)19(17,18)16-8-9-4-6-15-7-5-9/h1-7,16H,8H2
InChIKeyPLAFSORXECVWFJ-UHFFFAOYSA-N
MW317.20 g/mol
LogP2.87
Rot. Bonds4

About 2,3-dichloro-N-(pyridin-4-ylmethyl)benzenesulfonamide

2,3-dichloro-N-(pyridin-4-ylmethyl)benzenesulfonamide (PubChem CID 2127166) has the molecular formula C12H10Cl2N2O2S and a molecular weight of 317.20 g/mol. Its IUPAC name is 2,3-dichloro-N-(pyridin-4-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name2,3-dichloro-N-(pyridin-4-ylmethyl)benzenesulfonamide
PubChem CID2127166
Molecular FormulaC12H10Cl2N2O2S
Molecular Weight317.20 g/mol
Exact Mass315.98
IUPAC Name2,3-dichloro-N-(pyridin-4-ylmethyl)benzenesulfonamide
SMILESO=S(=O)(NCc1ccncc1)c1cccc(Cl)c1Cl
InChIInChI=1S/C12H10Cl2N2O2S/c13-10-2-1-3-11(12(10)14)19(17,18)16-8-9-4-6-15-7-5-9/h1-7,16H,8H2
InChIKeyPLAFSORXECVWFJ-UHFFFAOYSA-N
XLogP2.87
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.20
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-(pyridin-4-ylmethyl)benzenesulfonamide
CID 28590099
3-amino-2-methyl-N-(pyridin-4-ylmethyl)benzenesulfonamide
CID 29038629
2-[(2-chlorophenyl)sulfonylamino]-N-(pyridin-4-ylmethyl)acetamide
CID 112993228
2,3-dichloro-N-[(3-hydroxy-2-pyridinyl)methyl]benzenesulfonamide
CID 171697828
2-chloro-4-methoxy-N-(pyridin-4-ylmethyl)benzenesulfonamide
CID 110758794
N-[(4-bromophenyl)methyl]-2-chlorobenzenesulfonamide
CID 61401064
2,3-dichloro-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]benzenesulfonamide
CID 35389010
2,4-dihydroxy-N-(pyridin-4-ylmethyl)benzenesulfonamide
CID 143109406
2-chloro-N-[[4-(methoxymethyl)phenyl]methyl]benzenesulfonamide
CID 34263580
N-[(3-aminophenyl)methyl]-2-chlorobenzenesulfonamide
CID 43593530
1-benzyl-3-methyl-N-(pyridin-4-ylmethyl)pyrazole-4-sulfonamide
CID 42283113
N-(1,3-benzothiazol-2-ylmethyl)-2,3-dichlorobenzenesulfonamide
CID 32944413

Frequently Asked Questions

What is the IUPAC name of 2,3-dichloro-N-(pyridin-4-ylmethyl)benzenesulfonamide?
The IUPAC name of 2,3-dichloro-N-(pyridin-4-ylmethyl)benzenesulfonamide (CID 2127166) is 2,3-dichloro-N-(pyridin-4-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 2,3-dichloro-N-(pyridin-4-ylmethyl)benzenesulfonamide?
The canonical SMILES for 2,3-dichloro-N-(pyridin-4-ylmethyl)benzenesulfonamide is O=S(=O)(NCc1ccncc1)c1cccc(Cl)c1Cl.
What is the InChIKey of 2,3-dichloro-N-(pyridin-4-ylmethyl)benzenesulfonamide?
The InChIKey is PLAFSORXECVWFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Cl2N2O2S/c13-10-2-1-3-11(12(10)14)19(17,18)16-8-9-4-6-15-7-5-9/h1-7,16H,8H2.
What are the key properties of 2,3-dichloro-N-(pyridin-4-ylmethyl)benzenesulfonamide?
2,3-dichloro-N-(pyridin-4-ylmethyl)benzenesulfonamide has a molecular weight of 317.20 g/mol, XLogP of 2.87, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dichloro-N-(pyridin-4-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 2127166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).