N-(5-chloro-2-pyridinyl)-N-hydroxy-4-methylbenzenesulfonamide

C12H11ClN2O3S — CID 50889190

IUPACN-(5-chloro-2-pyridinyl)-N-hydroxy-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(O)c2ccc(Cl)cn2)cc1
InChIInChI=1S/C12H11ClN2O3S/c1-9-2-5-11(6-3-9)19(17,18)15(16)12-7-4-10(13)8-14-12/h2-8,16H,1H3
InChIKeyPKJWFDZEFZOOCN-UHFFFAOYSA-N
MW298.75 g/mol
LogP2.63
Rot. Bonds3

About N-(5-chloro-2-pyridinyl)-N-hydroxy-4-methylbenzenesulfonamide

N-(5-chloro-2-pyridinyl)-N-hydroxy-4-methylbenzenesulfonamide (PubChem CID 50889190) has the molecular formula C12H11ClN2O3S and a molecular weight of 298.75 g/mol. Its IUPAC name is N-(5-chloro-2-pyridinyl)-N-hydroxy-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(5-chloro-2-pyridinyl)-N-hydroxy-4-methylbenzenesulfonamide
PubChem CID50889190
Molecular FormulaC12H11ClN2O3S
Molecular Weight298.75 g/mol
Exact Mass298.02
IUPAC NameN-(5-chloro-2-pyridinyl)-N-hydroxy-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(O)c2ccc(Cl)cn2)cc1
InChIInChI=1S/C12H11ClN2O3S/c1-9-2-5-11(6-3-9)19(17,18)15(16)12-7-4-10(13)8-14-12/h2-8,16H,1H3
InChIKeyPKJWFDZEFZOOCN-UHFFFAOYSA-N
XLogP2.63
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.75
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-chloro-N-hydroxy-N-(4-methylphenyl)benzenesulfonamide
CID 2313101
N,N-bis(3-chloropropyl)-4-methylbenzenesulfonamide
CID 11012755
6-(dimethylamino)pyridine-3-sulfonyl chloride;4-methylaniline
CID 87190330
4-chloro-N-methyl-N-[2-(4-methylphenoxy)ethyl]benzenesulfonamide
CID 26057393
1,1,3,3-tetrakis-(4-methylphenyl)sulfonylurea
CID 91209973
sodium;N,N-dichloro-4-methylbenzenesulfonamide;hydride
CID 173126628
(4-chlorophenyl)-methyl-[methyl-(4-methylphenyl)sulfonylamino]sulfanium
CID 3530628
N-[(4-chlorophenyl)methyl]-4-methyl-N-(4-methylphenyl)benzenesulfonamide
CID 3959248
N-(4-chlorophenyl)sulfonyl-4-methylbenzenesulfonamide
CID 10593652
2-[(5-chloro-2-pyridinyl)-methylamino]propanoic acid
CID 120964121
N-(2-chloro-3-pyridinyl)-N,4-dimethylbenzenesulfonamide
CID 131843711
2-[(5-chloro-2-pyridinyl)-propan-2-ylamino]ethanol
CID 61150137

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-pyridinyl)-N-hydroxy-4-methylbenzenesulfonamide?
The IUPAC name of N-(5-chloro-2-pyridinyl)-N-hydroxy-4-methylbenzenesulfonamide (CID 50889190) is N-(5-chloro-2-pyridinyl)-N-hydroxy-4-methylbenzenesulfonamide.
What is the SMILES notation for N-(5-chloro-2-pyridinyl)-N-hydroxy-4-methylbenzenesulfonamide?
The canonical SMILES for N-(5-chloro-2-pyridinyl)-N-hydroxy-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)N(O)c2ccc(Cl)cn2)cc1.
What is the InChIKey of N-(5-chloro-2-pyridinyl)-N-hydroxy-4-methylbenzenesulfonamide?
The InChIKey is PKJWFDZEFZOOCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2O3S/c1-9-2-5-11(6-3-9)19(17,18)15(16)12-7-4-10(13)8-14-12/h2-8,16H,1H3.
What are the key properties of N-(5-chloro-2-pyridinyl)-N-hydroxy-4-methylbenzenesulfonamide?
N-(5-chloro-2-pyridinyl)-N-hydroxy-4-methylbenzenesulfonamide has a molecular weight of 298.75 g/mol, XLogP of 2.63, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-pyridinyl)-N-hydroxy-4-methylbenzenesulfonamide is sourced from PubChem (CID 50889190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).