1-(2-chlorophenyl)-N-[(2-methoxyphenyl)methyl]-N-(pyridin-3-ylmethyl)methanesulfonamide

C21H21ClN2O3S — CID 46970356

IUPAC1-(2-chlorophenyl)-N-[(2-methoxyphenyl)methyl]-N-(pyridin-3-ylmethyl)methanesulfonamide
SMILESCOc1ccccc1CN(Cc1cccnc1)S(=O)(=O)Cc1ccccc1Cl
InChIInChI=1S/C21H21ClN2O3S/c1-27-21-11-5-3-8-18(21)15-24(14-17-7-6-12-23-13-17)28(25,26)16-19-9-2-4-10-20(19)22/h2-13H,14-16H2,1H3
InChIKeyKYKBBDSQOCNOSV-UHFFFAOYSA-N
MW416.93 g/mol
LogP4.28
Rot. Bonds8

About 1-(2-chlorophenyl)-N-[(2-methoxyphenyl)methyl]-N-(pyridin-3-ylmethyl)methanesulfonamide

1-(2-chlorophenyl)-N-[(2-methoxyphenyl)methyl]-N-(pyridin-3-ylmethyl)methanesulfonamide (PubChem CID 46970356) has the molecular formula C21H21ClN2O3S and a molecular weight of 416.93 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-N-[(2-methoxyphenyl)methyl]-N-(pyridin-3-ylmethyl)methanesulfonamide.

Molecular Properties

Compound Name1-(2-chlorophenyl)-N-[(2-methoxyphenyl)methyl]-N-(pyridin-3-ylmethyl)methanesulfonamide
PubChem CID46970356
Molecular FormulaC21H21ClN2O3S
Molecular Weight416.93 g/mol
Exact Mass416.10
IUPAC Name1-(2-chlorophenyl)-N-[(2-methoxyphenyl)methyl]-N-(pyridin-3-ylmethyl)methanesulfonamide
SMILESCOc1ccccc1CN(Cc1cccnc1)S(=O)(=O)Cc1ccccc1Cl
InChIInChI=1S/C21H21ClN2O3S/c1-27-21-11-5-3-8-18(21)15-24(14-17-7-6-12-23-13-17)28(25,26)16-19-9-2-4-10-20(19)22/h2-13H,14-16H2,1H3
InChIKeyKYKBBDSQOCNOSV-UHFFFAOYSA-N
XLogP4.28
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.93
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-methoxyphenyl)methyl]-2-phenyl-N-(pyridin-3-ylmethyl)ethanamine
CID 46993097
N-(1H-benzimidazol-2-ylmethyl)-N-[(2-methoxyphenyl)methyl]-1-pyridin-3-ylmethanamine
CID 46983929
N-ethyl-N-(pyridin-3-ylmethyl)ethanesulfonamide
CID 174517903
2-(2-methoxyphenyl)-N-propyl-N-(pyridin-3-ylmethyl)acetamide
CID 46997861
N-[2-(2-fluorophenyl)ethyl]-2-methoxy-N-(pyridin-3-ylmethyl)ethanesulfonamide
CID 110424688
(3R)-N-[(2-methoxyphenyl)methyl]-N-(pyridin-3-ylmethyl)oxolane-3-carboxamide
CID 95046458
N-[(2-methoxyphenyl)methyl]-5-methyl-N-(pyridin-3-ylmethyl)pyrazine-2-carboxamide
CID 46989447
N-[4-(2-methoxyphenoxy)phenyl]-N-(pyridin-3-ylmethyl)ethanesulfonamide
CID 10157712
N-(4-chloro-2-methoxyphenyl)-N-(pyridin-3-ylmethyl)methanesulfonamide
CID 14720349
3-chloro-4-(difluoromethoxy)-N-[(2-methylphenyl)methyl]-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 55987865
N-[(2-methoxyphenyl)methyl]-2-methyl-3-pyrazol-1-yl-N-(pyridin-3-ylmethyl)propanamide
CID 46998936
2-chloro-N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 1164942

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-N-[(2-methoxyphenyl)methyl]-N-(pyridin-3-ylmethyl)methanesulfonamide?
The IUPAC name of 1-(2-chlorophenyl)-N-[(2-methoxyphenyl)methyl]-N-(pyridin-3-ylmethyl)methanesulfonamide (CID 46970356) is 1-(2-chlorophenyl)-N-[(2-methoxyphenyl)methyl]-N-(pyridin-3-ylmethyl)methanesulfonamide.
What is the SMILES notation for 1-(2-chlorophenyl)-N-[(2-methoxyphenyl)methyl]-N-(pyridin-3-ylmethyl)methanesulfonamide?
The canonical SMILES for 1-(2-chlorophenyl)-N-[(2-methoxyphenyl)methyl]-N-(pyridin-3-ylmethyl)methanesulfonamide is COc1ccccc1CN(Cc1cccnc1)S(=O)(=O)Cc1ccccc1Cl.
What is the InChIKey of 1-(2-chlorophenyl)-N-[(2-methoxyphenyl)methyl]-N-(pyridin-3-ylmethyl)methanesulfonamide?
The InChIKey is KYKBBDSQOCNOSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClN2O3S/c1-27-21-11-5-3-8-18(21)15-24(14-17-7-6-12-23-13-17)28(25,26)16-19-9-2-4-10-20(19)22/h2-13H,14-16H2,1H3.
What are the key properties of 1-(2-chlorophenyl)-N-[(2-methoxyphenyl)methyl]-N-(pyridin-3-ylmethyl)methanesulfonamide?
1-(2-chlorophenyl)-N-[(2-methoxyphenyl)methyl]-N-(pyridin-3-ylmethyl)methanesulfonamide has a molecular weight of 416.93 g/mol, XLogP of 4.28, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-N-[(2-methoxyphenyl)methyl]-N-(pyridin-3-ylmethyl)methanesulfonamide is sourced from PubChem (CID 46970356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).