N-[(3-chlorophenyl)methyl]-6-oxo-1H-pyridine-3-sulfonamide

C12H11ClN2O3S — CID 43629419

IUPACN-[(3-chlorophenyl)methyl]-6-oxo-1H-pyridine-3-sulfonamide
SMILESO=c1ccc(S(=O)(=O)NCc2cccc(Cl)c2)c[nH]1
InChIInChI=1S/C12H11ClN2O3S/c13-10-3-1-2-9(6-10)7-15-19(17,18)11-4-5-12(16)14-8-11/h1-6,8,15H,7H2,(H,14,16)
InChIKeySMGSTVYEXXFSBL-UHFFFAOYSA-N
MW298.75 g/mol
LogP1.51
Rot. Bonds4

About N-[(3-chlorophenyl)methyl]-6-oxo-1H-pyridine-3-sulfonamide

N-[(3-chlorophenyl)methyl]-6-oxo-1H-pyridine-3-sulfonamide (PubChem CID 43629419) has the molecular formula C12H11ClN2O3S and a molecular weight of 298.75 g/mol. Its IUPAC name is N-[(3-chlorophenyl)methyl]-6-oxo-1H-pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-[(3-chlorophenyl)methyl]-6-oxo-1H-pyridine-3-sulfonamide
PubChem CID43629419
Molecular FormulaC12H11ClN2O3S
Molecular Weight298.75 g/mol
Exact Mass298.02
IUPAC NameN-[(3-chlorophenyl)methyl]-6-oxo-1H-pyridine-3-sulfonamide
SMILESO=c1ccc(S(=O)(=O)NCc2cccc(Cl)c2)c[nH]1
InChIInChI=1S/C12H11ClN2O3S/c13-10-3-1-2-9(6-10)7-15-19(17,18)11-4-5-12(16)14-8-11/h1-6,8,15H,7H2,(H,14,16)
InChIKeySMGSTVYEXXFSBL-UHFFFAOYSA-N
XLogP1.51
TPSA79.03 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.75
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-chlorophenyl)methyl]-4-(methylamino)benzenesulfonamide
CID 62533780
N-[(2-chlorophenyl)methyl]-6-oxo-1H-pyridine-3-sulfonamide
CID 43629113
N-benzyl-3-chlorobenzenesulfonamide
CID 2405255
N-[(2-hydroxyphenyl)methyl]-6-oxo-1H-pyridine-3-sulfonamide
CID 114332748
N-[2-chloro-4-[(3-chlorophenyl)methylsulfamoyl]phenyl]acetamide
CID 5016142
N-(2-methylpropyl)-6-oxo-1H-pyridine-3-sulfonamide
CID 43629041
4-[(3-chlorophenyl)methylsulfamoyl]thiophene-2-carboxylic acid
CID 61073401
2-amino-5-chloro-N-[(3-chlorophenyl)methyl]benzenesulfonamide
CID 61108918
6-oxo-N-(pyridazin-3-ylmethyl)-1H-pyridine-3-sulfonamide
CID 106897421
3-chloro-N-(1H-indol-6-ylmethyl)benzenesulfonamide
CID 169029479
N-[[4-(aminomethyl)phenyl]methyl]-3-chlorobenzenesulfonamide
CID 81090139
N-[2-(3-chlorophenyl)ethyl]-4-fluorobenzenesulfonamide
CID 897615

Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorophenyl)methyl]-6-oxo-1H-pyridine-3-sulfonamide?
The IUPAC name of N-[(3-chlorophenyl)methyl]-6-oxo-1H-pyridine-3-sulfonamide (CID 43629419) is N-[(3-chlorophenyl)methyl]-6-oxo-1H-pyridine-3-sulfonamide.
What is the SMILES notation for N-[(3-chlorophenyl)methyl]-6-oxo-1H-pyridine-3-sulfonamide?
The canonical SMILES for N-[(3-chlorophenyl)methyl]-6-oxo-1H-pyridine-3-sulfonamide is O=c1ccc(S(=O)(=O)NCc2cccc(Cl)c2)c[nH]1.
What is the InChIKey of N-[(3-chlorophenyl)methyl]-6-oxo-1H-pyridine-3-sulfonamide?
The InChIKey is SMGSTVYEXXFSBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2O3S/c13-10-3-1-2-9(6-10)7-15-19(17,18)11-4-5-12(16)14-8-11/h1-6,8,15H,7H2,(H,14,16).
What are the key properties of N-[(3-chlorophenyl)methyl]-6-oxo-1H-pyridine-3-sulfonamide?
N-[(3-chlorophenyl)methyl]-6-oxo-1H-pyridine-3-sulfonamide has a molecular weight of 298.75 g/mol, XLogP of 1.51, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorophenyl)methyl]-6-oxo-1H-pyridine-3-sulfonamide is sourced from PubChem (CID 43629419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).