2-methoxy-N-methyl-N-[phenyl(pyridin-2-yl)methyl]benzenesulfonamide

C20H20N2O3S — CID 47065174

IUPAC2-methoxy-N-methyl-N-[phenyl(pyridin-2-yl)methyl]benzenesulfonamide
SMILESCOc1ccccc1S(=O)(=O)N(C)C(c1ccccc1)c1ccccn1
InChIInChI=1S/C20H20N2O3S/c1-22(26(23,24)19-14-7-6-13-18(19)25-2)20(16-10-4-3-5-11-16)17-12-8-9-15-21-17/h3-15,20H,1-2H3
InChIKeyLAMAKZMQRWTRTH-UHFFFAOYSA-N
MW368.46 g/mol
LogP3.50
Rot. Bonds6

About 2-methoxy-N-methyl-N-[phenyl(pyridin-2-yl)methyl]benzenesulfonamide

2-methoxy-N-methyl-N-[phenyl(pyridin-2-yl)methyl]benzenesulfonamide (PubChem CID 47065174) has the molecular formula C20H20N2O3S and a molecular weight of 368.46 g/mol. Its IUPAC name is 2-methoxy-N-methyl-N-[phenyl(pyridin-2-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name2-methoxy-N-methyl-N-[phenyl(pyridin-2-yl)methyl]benzenesulfonamide
PubChem CID47065174
Molecular FormulaC20H20N2O3S
Molecular Weight368.46 g/mol
Exact Mass368.12
IUPAC Name2-methoxy-N-methyl-N-[phenyl(pyridin-2-yl)methyl]benzenesulfonamide
SMILESCOc1ccccc1S(=O)(=O)N(C)C(c1ccccc1)c1ccccn1
InChIInChI=1S/C20H20N2O3S/c1-22(26(23,24)19-14-7-6-13-18(19)25-2)20(16-10-4-3-5-11-16)17-12-8-9-15-21-17/h3-15,20H,1-2H3
InChIKeyLAMAKZMQRWTRTH-UHFFFAOYSA-N
XLogP3.50
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.46
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4,5-dimethoxy-N,2-dimethyl-N-[phenyl(pyridin-2-yl)methyl]benzenesulfonamide
CID 55766353
N-methyl-N-[methyl-[(S)-phenyl(pyridin-2-yl)methyl]sulfamoyl]propan-2-amine
CID 97194118
2-methoxy-N-[phenyl(pyridin-2-yl)methyl]benzenesulfonamide
CID 51169894
4-ethylsulfonyl-N-methyl-N-[phenyl(pyridin-2-yl)methyl]benzenesulfonamide
CID 55914421
2-methoxy-N,N-di(propan-2-yl)benzenesulfonamide
CID 143578726
3-methoxy-N-methyl-N-[phenyl(pyridin-2-yl)methyl]-4-propan-2-yloxybenzamide
CID 55767493
N-[1-(4-fluorophenyl)ethyl]-2-methoxy-N-methylbenzenesulfonamide
CID 51278422
4-(2-ethoxyphenoxy)-N-methyl-N-[phenyl(pyridin-2-yl)methyl]butanamide
CID 55767816
3,4,5-trimethoxy-N-methyl-2-nitro-N-[phenyl(pyridin-2-yl)methyl]benzamide
CID 55881341
N-[(2-bromophenyl)-phenylmethyl]-2-chloro-N-methylpyridine-3-sulfonamide
CID 139014984
4-(benzenesulfonamido)-N-methyl-N-[phenyl(pyridin-2-yl)methyl]benzamide
CID 55767365
3-(2-chloro-4-fluorophenoxy)-N-methyl-N-[phenyl(pyridin-2-yl)methyl]propanamide
CID 55880579

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-methyl-N-[phenyl(pyridin-2-yl)methyl]benzenesulfonamide?
The IUPAC name of 2-methoxy-N-methyl-N-[phenyl(pyridin-2-yl)methyl]benzenesulfonamide (CID 47065174) is 2-methoxy-N-methyl-N-[phenyl(pyridin-2-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 2-methoxy-N-methyl-N-[phenyl(pyridin-2-yl)methyl]benzenesulfonamide?
The canonical SMILES for 2-methoxy-N-methyl-N-[phenyl(pyridin-2-yl)methyl]benzenesulfonamide is COc1ccccc1S(=O)(=O)N(C)C(c1ccccc1)c1ccccn1.
What is the InChIKey of 2-methoxy-N-methyl-N-[phenyl(pyridin-2-yl)methyl]benzenesulfonamide?
The InChIKey is LAMAKZMQRWTRTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O3S/c1-22(26(23,24)19-14-7-6-13-18(19)25-2)20(16-10-4-3-5-11-16)17-12-8-9-15-21-17/h3-15,20H,1-2H3.
What are the key properties of 2-methoxy-N-methyl-N-[phenyl(pyridin-2-yl)methyl]benzenesulfonamide?
2-methoxy-N-methyl-N-[phenyl(pyridin-2-yl)methyl]benzenesulfonamide has a molecular weight of 368.46 g/mol, XLogP of 3.50, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-methyl-N-[phenyl(pyridin-2-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 47065174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).