N-(4-chloro-2-methoxyphenyl)-N-(pyridin-3-ylmethyl)methanesulfonamide

C14H15ClN2O3S — CID 14720349

IUPACN-(4-chloro-2-methoxyphenyl)-N-(pyridin-3-ylmethyl)methanesulfonamide
SMILESCOc1cc(Cl)ccc1N(Cc1cccnc1)S(C)(=O)=O
InChIInChI=1S/C14H15ClN2O3S/c1-20-14-8-12(15)5-6-13(14)17(21(2,18)19)10-11-4-3-7-16-9-11/h3-9H,10H2,1-2H3
InChIKeyNZZHRSMCOVMVLG-UHFFFAOYSA-N
MW326.81 g/mol
LogP2.71
Rot. Bonds5

About N-(4-chloro-2-methoxyphenyl)-N-(pyridin-3-ylmethyl)methanesulfonamide

N-(4-chloro-2-methoxyphenyl)-N-(pyridin-3-ylmethyl)methanesulfonamide (PubChem CID 14720349) has the molecular formula C14H15ClN2O3S and a molecular weight of 326.81 g/mol. Its IUPAC name is N-(4-chloro-2-methoxyphenyl)-N-(pyridin-3-ylmethyl)methanesulfonamide.

Molecular Properties

Compound NameN-(4-chloro-2-methoxyphenyl)-N-(pyridin-3-ylmethyl)methanesulfonamide
PubChem CID14720349
Molecular FormulaC14H15ClN2O3S
Molecular Weight326.81 g/mol
Exact Mass326.05
IUPAC NameN-(4-chloro-2-methoxyphenyl)-N-(pyridin-3-ylmethyl)methanesulfonamide
SMILESCOc1cc(Cl)ccc1N(Cc1cccnc1)S(C)(=O)=O
InChIInChI=1S/C14H15ClN2O3S/c1-20-14-8-12(15)5-6-13(14)17(21(2,18)19)10-11-4-3-7-16-9-11/h3-9H,10H2,1-2H3
InChIKeyNZZHRSMCOVMVLG-UHFFFAOYSA-N
XLogP2.71
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.81
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-chlorophenyl)methyl-methylsulfonylamino]-4,5-dimethoxy-N-(pyridin-3-ylmethyl)benzamide
CID 30151461
N-[2-fluoro-4-(4-fluorophenyl)phenyl]-N-(pyridin-3-ylmethyl)methanesulfonamide
CID 73352682
N-(3,4-dimethylphenyl)-N-(pyridin-3-ylmethyl)methanesulfonamide
CID 110360932
N-(4-chlorophenyl)-N-(pyridin-3-ylmethyl)propane-2-sulfonamide
CID 14720281
(2S)-2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-(pyridin-3-ylmethyl)propanamide
CID 40690950
2-(2,4-dichloro-N-methylsulfonylanilino)-N-(pyridin-3-ylmethyl)acetamide
CID 6489838
4-chloro-2-fluoro-N-methyl-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 47103942
N-benzyl-N-(2-methoxyphenyl)methanesulfonamide
CID 6459309
N-methyl-N-(pyridin-3-ylmethyl)methanesulfonamide
CID 58150961
methyl 4-chloro-3-[(4-chlorophenyl)-(pyridin-3-ylmethyl)sulfamoyl]benzoate
CID 52634255
N-(3-methoxyphenyl)-N-(pyridin-3-ylmethyl)ethanesulfonamide
CID 110360546
N-(3-chlorophenyl)-2-(2-methoxyphenoxy)-N-(pyridin-3-ylmethyl)acetamide
CID 110360968

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-methoxyphenyl)-N-(pyridin-3-ylmethyl)methanesulfonamide?
The IUPAC name of N-(4-chloro-2-methoxyphenyl)-N-(pyridin-3-ylmethyl)methanesulfonamide (CID 14720349) is N-(4-chloro-2-methoxyphenyl)-N-(pyridin-3-ylmethyl)methanesulfonamide.
What is the SMILES notation for N-(4-chloro-2-methoxyphenyl)-N-(pyridin-3-ylmethyl)methanesulfonamide?
The canonical SMILES for N-(4-chloro-2-methoxyphenyl)-N-(pyridin-3-ylmethyl)methanesulfonamide is COc1cc(Cl)ccc1N(Cc1cccnc1)S(C)(=O)=O.
What is the InChIKey of N-(4-chloro-2-methoxyphenyl)-N-(pyridin-3-ylmethyl)methanesulfonamide?
The InChIKey is NZZHRSMCOVMVLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O3S/c1-20-14-8-12(15)5-6-13(14)17(21(2,18)19)10-11-4-3-7-16-9-11/h3-9H,10H2,1-2H3.
What are the key properties of N-(4-chloro-2-methoxyphenyl)-N-(pyridin-3-ylmethyl)methanesulfonamide?
N-(4-chloro-2-methoxyphenyl)-N-(pyridin-3-ylmethyl)methanesulfonamide has a molecular weight of 326.81 g/mol, XLogP of 2.71, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-methoxyphenyl)-N-(pyridin-3-ylmethyl)methanesulfonamide is sourced from PubChem (CID 14720349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).