N-(4-chloro-3-hydroxyphenyl)-2-pyridin-2-ylethanesulfonamide

C13H13ClN2O3S — CID 64786737

IUPACN-(4-chloro-3-hydroxyphenyl)-2-pyridin-2-ylethanesulfonamide
SMILESO=S(=O)(CCc1ccccn1)Nc1ccc(Cl)c(O)c1
InChIInChI=1S/C13H13ClN2O3S/c14-12-5-4-11(9-13(12)17)16-20(18,19)8-6-10-3-1-2-7-15-10/h1-5,7,9,16-17H,6,8H2
InChIKeyAVMIYCJQZCQFOW-UHFFFAOYSA-N
MW312.78 g/mol
LogP2.42
Rot. Bonds5

About N-(4-chloro-3-hydroxyphenyl)-2-pyridin-2-ylethanesulfonamide

N-(4-chloro-3-hydroxyphenyl)-2-pyridin-2-ylethanesulfonamide (PubChem CID 64786737) has the molecular formula C13H13ClN2O3S and a molecular weight of 312.78 g/mol. Its IUPAC name is N-(4-chloro-3-hydroxyphenyl)-2-pyridin-2-ylethanesulfonamide.

Molecular Properties

Compound NameN-(4-chloro-3-hydroxyphenyl)-2-pyridin-2-ylethanesulfonamide
PubChem CID64786737
Molecular FormulaC13H13ClN2O3S
Molecular Weight312.78 g/mol
Exact Mass312.03
IUPAC NameN-(4-chloro-3-hydroxyphenyl)-2-pyridin-2-ylethanesulfonamide
SMILESO=S(=O)(CCc1ccccn1)Nc1ccc(Cl)c(O)c1
InChIInChI=1S/C13H13ClN2O3S/c14-12-5-4-11(9-13(12)17)16-20(18,19)8-6-10-3-1-2-7-15-10/h1-5,7,9,16-17H,6,8H2
InChIKeyAVMIYCJQZCQFOW-UHFFFAOYSA-N
XLogP2.42
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.78
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-chloro-3-(trifluoromethyl)phenyl]-2-pyridin-2-ylethanesulfonamide
CID 3667629
N-(4-chloro-3-hydroxyphenyl)-2-phenylethanesulfonamide
CID 80685966
N-(5-chloro-2-hydroxyphenyl)-2-pyridin-2-ylethanesulfonamide
CID 25040971
N-(5-bromo-2-chlorophenyl)-2-pyridin-2-ylethanesulfonamide
CID 62909121
N-(6-amino-3-pyridinyl)-2-pyridin-2-ylethanesulfonamide
CID 55026068
N-[4-(1-aminoethyl)phenyl]-2-pyridin-2-ylethanesulfonamide
CID 60864926
N-(2-aminophenyl)-2-pyridin-2-ylethanesulfonamide
CID 60864371
2-pyridin-2-yl-N-(1H-1,2,4-triazol-5-yl)ethanesulfonamide
CID 62945798
N-[(3-chlorophenyl)methyl]-2-pyridin-2-ylethanesulfonamide
CID 25042955
N-(5-amino-2-methylphenyl)-2-pyridin-2-ylethanesulfonamide
CID 60864543
N-(3-bromo-4-chlorophenyl)-2-phenylethanesulfonamide
CID 80686183
N-(2,6-difluoro-3-pyridinyl)-2-pyridin-2-ylethanesulfonamide
CID 103098114

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-3-hydroxyphenyl)-2-pyridin-2-ylethanesulfonamide?
The IUPAC name of N-(4-chloro-3-hydroxyphenyl)-2-pyridin-2-ylethanesulfonamide (CID 64786737) is N-(4-chloro-3-hydroxyphenyl)-2-pyridin-2-ylethanesulfonamide.
What is the SMILES notation for N-(4-chloro-3-hydroxyphenyl)-2-pyridin-2-ylethanesulfonamide?
The canonical SMILES for N-(4-chloro-3-hydroxyphenyl)-2-pyridin-2-ylethanesulfonamide is O=S(=O)(CCc1ccccn1)Nc1ccc(Cl)c(O)c1.
What is the InChIKey of N-(4-chloro-3-hydroxyphenyl)-2-pyridin-2-ylethanesulfonamide?
The InChIKey is AVMIYCJQZCQFOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2O3S/c14-12-5-4-11(9-13(12)17)16-20(18,19)8-6-10-3-1-2-7-15-10/h1-5,7,9,16-17H,6,8H2.
What are the key properties of N-(4-chloro-3-hydroxyphenyl)-2-pyridin-2-ylethanesulfonamide?
N-(4-chloro-3-hydroxyphenyl)-2-pyridin-2-ylethanesulfonamide has a molecular weight of 312.78 g/mol, XLogP of 2.42, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-3-hydroxyphenyl)-2-pyridin-2-ylethanesulfonamide is sourced from PubChem (CID 64786737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).