N-[2-(4-chloro-2-pyridinyl)-1-hydroxyethyl]-4-methylbenzenesulfonamide

C14H15ClN2O3S — CID 91212551

IUPACN-[2-(4-chloro-2-pyridinyl)-1-hydroxyethyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NC(O)Cc2cc(Cl)ccn2)cc1
InChIInChI=1S/C14H15ClN2O3S/c1-10-2-4-13(5-3-10)21(19,20)17-14(18)9-12-8-11(15)6-7-16-12/h2-8,14,17-18H,9H2,1H3
InChIKeyFCNRJYFDKRZPES-UHFFFAOYSA-N
MW326.81 g/mol
LogP1.88
Rot. Bonds5

About N-[2-(4-chloro-2-pyridinyl)-1-hydroxyethyl]-4-methylbenzenesulfonamide

N-[2-(4-chloro-2-pyridinyl)-1-hydroxyethyl]-4-methylbenzenesulfonamide (PubChem CID 91212551) has the molecular formula C14H15ClN2O3S and a molecular weight of 326.81 g/mol. Its IUPAC name is N-[2-(4-chloro-2-pyridinyl)-1-hydroxyethyl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[2-(4-chloro-2-pyridinyl)-1-hydroxyethyl]-4-methylbenzenesulfonamide
PubChem CID91212551
Molecular FormulaC14H15ClN2O3S
Molecular Weight326.81 g/mol
Exact Mass326.05
IUPAC NameN-[2-(4-chloro-2-pyridinyl)-1-hydroxyethyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NC(O)Cc2cc(Cl)ccn2)cc1
InChIInChI=1S/C14H15ClN2O3S/c1-10-2-4-13(5-3-10)21(19,20)17-14(18)9-12-8-11(15)6-7-16-12/h2-8,14,17-18H,9H2,1H3
InChIKeyFCNRJYFDKRZPES-UHFFFAOYSA-N
XLogP1.88
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.81
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze N-[2-(4-chloro-2-pyridinyl)-1-hydroxyethyl]-4-methylbenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-Chloro-N-[5-(3-hydroxy-propyl)-8-pyridin-3-yl-octyl]-benzenesulfonamide
CID 10478324
4-(3,5-dichloro-2-pyridinyl)-3-fluoro-N-[(4R)-1-hydroxyheptan-4-yl]benzenesulfonamide
CID 129034605
4-(3,5-dichloro-2-pyridinyl)-3-fluoro-N-[(3R,6S)-6-hydroxyheptan-3-yl]benzenesulfonamide
CID 130254323
4-(3,5-dichloro-2-pyridinyl)-3-fluoro-N-[(3R)-1-hydroxyhexan-3-yl]benzenesulfonamide
CID 132057676
(2R,3S)-3-bromo-6-chloro-1-(4-methylphenyl)sulfonyl-2,3-dihydropyrrolo[3,2-c]pyridin-2-ol
CID 162413682
(2R,3S)-3-bromo-6-chloro-1-(4-methylphenyl)sulfonyl-2,3-dihydropyrrolo[3,2-b]pyridin-2-ol
CID 162413683
5-chloro-N-[1-(3-fluorophenyl)-2-hydroxyethyl]-N-methylpyridine-3-sulfonamide
CID 75388872
5-chloro-N-[1-(2-fluorophenyl)-2-hydroxyethyl]pyridine-3-sulfonamide
CID 75388875
5-chloro-N-[(1R)-1-(3-fluorophenyl)-2-hydroxyethyl]-N-methylpyridine-3-sulfonamide
CID 97242211
5-chloro-N-[(1S)-1-(3-fluorophenyl)-2-hydroxyethyl]-N-methylpyridine-3-sulfonamide
CID 97242212
5-chloro-N-[(1S)-1-(2-fluorophenyl)-2-hydroxyethyl]pyridine-3-sulfonamide
CID 97242215
5-chloro-N-[(1R)-1-(2-fluorophenyl)-2-hydroxyethyl]pyridine-3-sulfonamide
CID 97242216

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chloro-2-pyridinyl)-1-hydroxyethyl]-4-methylbenzenesulfonamide?
The IUPAC name of N-[2-(4-chloro-2-pyridinyl)-1-hydroxyethyl]-4-methylbenzenesulfonamide (CID 91212551) is N-[2-(4-chloro-2-pyridinyl)-1-hydroxyethyl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[2-(4-chloro-2-pyridinyl)-1-hydroxyethyl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[2-(4-chloro-2-pyridinyl)-1-hydroxyethyl]-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)NC(O)Cc2cc(Cl)ccn2)cc1.
What is the InChIKey of N-[2-(4-chloro-2-pyridinyl)-1-hydroxyethyl]-4-methylbenzenesulfonamide?
The InChIKey is FCNRJYFDKRZPES-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O3S/c1-10-2-4-13(5-3-10)21(19,20)17-14(18)9-12-8-11(15)6-7-16-12/h2-8,14,17-18H,9H2,1H3.
What are the key properties of N-[2-(4-chloro-2-pyridinyl)-1-hydroxyethyl]-4-methylbenzenesulfonamide?
N-[2-(4-chloro-2-pyridinyl)-1-hydroxyethyl]-4-methylbenzenesulfonamide has a molecular weight of 326.81 g/mol, XLogP of 1.88, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chloro-2-pyridinyl)-1-hydroxyethyl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 91212551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).