4-chloro-N-[5-(hydroxymethyl)-2-pyridinyl]benzenesulfonamide

C12H11ClN2O3S — CID 82343403

IUPAC4-chloro-N-[5-(hydroxymethyl)-2-pyridinyl]benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(CO)cn1)c1ccc(Cl)cc1
InChIInChI=1S/C12H11ClN2O3S/c13-10-2-4-11(5-3-10)19(17,18)15-12-6-1-9(8-16)7-14-12/h1-7,16H,8H2,(H,14,15)
InChIKeyRUDKQIVTGDSZAU-UHFFFAOYSA-N
MW298.75 g/mol
LogP2.03
Rot. Bonds4

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

4-chloro-N-[5-(hydroxymethyl)-2-pyridinyl]benzenesulfonamide (PubChem CID 82343403) has the molecular formula C12H11ClN2O3S and a molecular weight of 298.75 g/mol. Its IUPAC name is 4-chloro-N-[5-(hydroxymethyl)-2-pyridinyl]benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-[5-(hydroxymethyl)-2-pyridinyl]benzenesulfonamide
PubChem CID82343403
Molecular FormulaC12H11ClN2O3S
Molecular Weight298.75 g/mol
Exact Mass298.02
IUPAC Name4-chloro-N-[5-(hydroxymethyl)-2-pyridinyl]benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(CO)cn1)c1ccc(Cl)cc1
InChIInChI=1S/C12H11ClN2O3S/c13-10-2-4-11(5-3-10)19(17,18)15-12-6-1-9(8-16)7-14-12/h1-7,16H,8H2,(H,14,15)
InChIKeyRUDKQIVTGDSZAU-UHFFFAOYSA-N
XLogP2.03
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.75
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-(hydroxymethyl)-2-pyridinyl]-4-methylbenzenesulfonamide
CID 82343399
4-chloro-N-(5-methyl-2-pyridinyl)benzenesulfonamide
CID 759580
4-chloro-N-[5-[(4-fluorophenyl)methylamino]-2-pyridinyl]benzenesulfonamide
CID 113027143
N-[5-[(4-chlorophenyl)methylamino]-2-pyridinyl]-4-methylbenzenesulfonamide
CID 113027303
4-[(5-chloro-2-pyridinyl)sulfamoyl]benzoic acid
CID 6463370
4-[(5-chloro-2-pyridinyl)sulfamoyl]benzenecarbothioamide
CID 28893727
3,4-dichloro-N-(5-chloro-2-pyridinyl)benzenesulfonamide
CID 74229116
4-(chloromethyl)-N-(5-methyl-2-pyridinyl)benzenesulfonamide
CID 114279681
4-chloro-N-[5-(pentylamino)-2-pyridinyl]benzenesulfonamide
CID 113030458
4-chloro-N-[5-(3-methylbutylamino)-2-pyridinyl]benzenesulfonamide
CID 113030332
N-(5-chloro-2-pyridinyl)-3,4-difluorobenzenesulfonamide
CID 19683191
4-chloro-N-[5-[2-(cyclohexen-1-yl)ethylamino]-2-pyridinyl]benzenesulfonamide
CID 113024995

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[5-(hydroxymethyl)-2-pyridinyl]benzenesulfonamide?
The IUPAC name of 4-chloro-N-[5-(hydroxymethyl)-2-pyridinyl]benzenesulfonamide (CID 82343403) is 4-chloro-N-[5-(hydroxymethyl)-2-pyridinyl]benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-[5-(hydroxymethyl)-2-pyridinyl]benzenesulfonamide?
The canonical SMILES for 4-chloro-N-[5-(hydroxymethyl)-2-pyridinyl]benzenesulfonamide is O=S(=O)(Nc1ccc(CO)cn1)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[5-(hydroxymethyl)-2-pyridinyl]benzenesulfonamide?
The InChIKey is RUDKQIVTGDSZAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2O3S/c13-10-2-4-11(5-3-10)19(17,18)15-12-6-1-9(8-16)7-14-12/h1-7,16H,8H2,(H,14,15).
What are the key properties of 4-chloro-N-[5-(hydroxymethyl)-2-pyridinyl]benzenesulfonamide?
4-chloro-N-[5-(hydroxymethyl)-2-pyridinyl]benzenesulfonamide has a molecular weight of 298.75 g/mol, XLogP of 2.03, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[5-(hydroxymethyl)-2-pyridinyl]benzenesulfonamide is sourced from PubChem (CID 82343403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).