N-[4-[(4-chlorophenyl)-hydroxy-pyridin-3-ylmethyl]phenyl]methanesulfonamide

C19H17ClN2O3S — CID 56676124

IUPACN-[4-[(4-chlorophenyl)-hydroxy-pyridin-3-ylmethyl]phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1ccc(C(O)(c2ccc(Cl)cc2)c2cccnc2)cc1
InChIInChI=1S/C19H17ClN2O3S/c1-26(24,25)22-18-10-6-15(7-11-18)19(23,16-3-2-12-21-13-16)14-4-8-17(20)9-5-14/h2-13,22-23H,1H3
InChIKeyDIQVZOXRQZBNGP-UHFFFAOYSA-N
MW388.88 g/mol
LogP3.39
Rot. Bonds5

About N-[4-[(4-chlorophenyl)-hydroxy-pyridin-3-ylmethyl]phenyl]methanesulfonamide

N-[4-[(4-chlorophenyl)-hydroxy-pyridin-3-ylmethyl]phenyl]methanesulfonamide (PubChem CID 56676124) has the molecular formula C19H17ClN2O3S and a molecular weight of 388.88 g/mol. Its IUPAC name is N-[4-[(4-chlorophenyl)-hydroxy-pyridin-3-ylmethyl]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[4-[(4-chlorophenyl)-hydroxy-pyridin-3-ylmethyl]phenyl]methanesulfonamide
PubChem CID56676124
Molecular FormulaC19H17ClN2O3S
Molecular Weight388.88 g/mol
Exact Mass388.06
IUPAC NameN-[4-[(4-chlorophenyl)-hydroxy-pyridin-3-ylmethyl]phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1ccc(C(O)(c2ccc(Cl)cc2)c2cccnc2)cc1
InChIInChI=1S/C19H17ClN2O3S/c1-26(24,25)22-18-10-6-15(7-11-18)19(23,16-3-2-12-21-13-16)14-4-8-17(20)9-5-14/h2-13,22-23H,1H3
InChIKeyDIQVZOXRQZBNGP-UHFFFAOYSA-N
XLogP3.39
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.88
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(4-chlorophenyl)-hydroxy-pyridin-3-ylmethyl]phenyl]methanesulfonamide?
The IUPAC name of N-[4-[(4-chlorophenyl)-hydroxy-pyridin-3-ylmethyl]phenyl]methanesulfonamide (CID 56676124) is N-[4-[(4-chlorophenyl)-hydroxy-pyridin-3-ylmethyl]phenyl]methanesulfonamide.
What is the SMILES notation for N-[4-[(4-chlorophenyl)-hydroxy-pyridin-3-ylmethyl]phenyl]methanesulfonamide?
The canonical SMILES for N-[4-[(4-chlorophenyl)-hydroxy-pyridin-3-ylmethyl]phenyl]methanesulfonamide is CS(=O)(=O)Nc1ccc(C(O)(c2ccc(Cl)cc2)c2cccnc2)cc1.
What is the InChIKey of N-[4-[(4-chlorophenyl)-hydroxy-pyridin-3-ylmethyl]phenyl]methanesulfonamide?
The InChIKey is DIQVZOXRQZBNGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN2O3S/c1-26(24,25)22-18-10-6-15(7-11-18)19(23,16-3-2-12-21-13-16)14-4-8-17(20)9-5-14/h2-13,22-23H,1H3.
What are the key properties of N-[4-[(4-chlorophenyl)-hydroxy-pyridin-3-ylmethyl]phenyl]methanesulfonamide?
N-[4-[(4-chlorophenyl)-hydroxy-pyridin-3-ylmethyl]phenyl]methanesulfonamide has a molecular weight of 388.88 g/mol, XLogP of 3.39, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(4-chlorophenyl)-hydroxy-pyridin-3-ylmethyl]phenyl]methanesulfonamide is sourced from PubChem (CID 56676124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).