N-[5-(hydroxymethyl)-2-pyridinyl]-4-methylbenzenesulfonamide

C13H14N2O3S — CID 82343399

IUPACN-[5-(hydroxymethyl)-2-pyridinyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(CO)cn2)cc1
InChIInChI=1S/C13H14N2O3S/c1-10-2-5-12(6-3-10)19(17,18)15-13-7-4-11(9-16)8-14-13/h2-8,16H,9H2,1H3,(H,14,15)
InChIKeyJKKXASZPYSYFIC-UHFFFAOYSA-N
MW278.33 g/mol
LogP1.68
Rot. Bonds4

About N-[5-(hydroxymethyl)-2-pyridinyl]-4-methylbenzenesulfonamide

N-[5-(hydroxymethyl)-2-pyridinyl]-4-methylbenzenesulfonamide (PubChem CID 82343399) has the molecular formula C13H14N2O3S and a molecular weight of 278.33 g/mol. Its IUPAC name is N-[5-(hydroxymethyl)-2-pyridinyl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[5-(hydroxymethyl)-2-pyridinyl]-4-methylbenzenesulfonamide
PubChem CID82343399
Molecular FormulaC13H14N2O3S
Molecular Weight278.33 g/mol
Exact Mass278.07
IUPAC NameN-[5-(hydroxymethyl)-2-pyridinyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(CO)cn2)cc1
InChIInChI=1S/C13H14N2O3S/c1-10-2-5-12(6-3-10)19(17,18)15-13-7-4-11(9-16)8-14-13/h2-8,16H,9H2,1H3,(H,14,15)
InChIKeyJKKXASZPYSYFIC-UHFFFAOYSA-N
XLogP1.68
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.33
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-N-[5-(hydroxymethyl)-2-pyridinyl]benzenesulfonamide
CID 82343403
4-(chloromethyl)-N-(5-methyl-2-pyridinyl)benzenesulfonamide
CID 114279681
4-(bromomethyl)-N-(5-methyl-2-pyridinyl)benzenesulfonamide
CID 65481784
N-(5-bromo-2-pyridinyl)-4-methylbenzenesulfonamide
CID 673877
N-(5-acetyl-2-pyridinyl)-4-methylbenzenesulfonamide
CID 100923791
N-[5-[(4-chlorophenyl)methylamino]-2-pyridinyl]-4-methylbenzenesulfonamide
CID 113027303
N-(5-isocyano-2-pyridinyl)-4-methylbenzenesulfonamide
CID 156676151
N-[5-(diethylamino)-2-pyridinyl]-4-methylbenzenesulfonamide
CID 113029747
(E)-3-[6-[(4-methylphenyl)sulfonylamino]-3-pyridinyl]prop-2-enoic acid
CID 22986806
4-bromo-N-(5-methyl-2-pyridinyl)benzenesulfonamide
CID 669661
4-chloro-N-(5-methyl-2-pyridinyl)benzenesulfonamide
CID 759580
N-(5-methyl-2-pyridinyl)-4-pyridin-4-ylbenzenesulfonamide
CID 110454365

Frequently Asked Questions

What is the IUPAC name of N-[5-(hydroxymethyl)-2-pyridinyl]-4-methylbenzenesulfonamide?
The IUPAC name of N-[5-(hydroxymethyl)-2-pyridinyl]-4-methylbenzenesulfonamide (CID 82343399) is N-[5-(hydroxymethyl)-2-pyridinyl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[5-(hydroxymethyl)-2-pyridinyl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[5-(hydroxymethyl)-2-pyridinyl]-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2ccc(CO)cn2)cc1.
What is the InChIKey of N-[5-(hydroxymethyl)-2-pyridinyl]-4-methylbenzenesulfonamide?
The InChIKey is JKKXASZPYSYFIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O3S/c1-10-2-5-12(6-3-10)19(17,18)15-13-7-4-11(9-16)8-14-13/h2-8,16H,9H2,1H3,(H,14,15).
What are the key properties of N-[5-(hydroxymethyl)-2-pyridinyl]-4-methylbenzenesulfonamide?
N-[5-(hydroxymethyl)-2-pyridinyl]-4-methylbenzenesulfonamide has a molecular weight of 278.33 g/mol, XLogP of 1.68, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(hydroxymethyl)-2-pyridinyl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 82343399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).