2-chloro-N-(3-methoxyphenyl)-N-(pyridin-3-ylmethyl)benzenesulfonamide

C19H17ClN2O3S — CID 110360581

IUPAC2-chloro-N-(3-methoxyphenyl)-N-(pyridin-3-ylmethyl)benzenesulfonamide
SMILESCOc1cccc(N(Cc2cccnc2)S(=O)(=O)c2ccccc2Cl)c1
InChIInChI=1S/C19H17ClN2O3S/c1-25-17-8-4-7-16(12-17)22(14-15-6-5-11-21-13-15)26(23,24)19-10-3-2-9-18(19)20/h2-13H,14H2,1H3
InChIKeyMTXSNRHORAUCFJ-UHFFFAOYSA-N
MW388.88 g/mol
LogP4.14
Rot. Bonds6

About 2-chloro-N-(3-methoxyphenyl)-N-(pyridin-3-ylmethyl)benzenesulfonamide

2-chloro-N-(3-methoxyphenyl)-N-(pyridin-3-ylmethyl)benzenesulfonamide (PubChem CID 110360581) has the molecular formula C19H17ClN2O3S and a molecular weight of 388.88 g/mol. Its IUPAC name is 2-chloro-N-(3-methoxyphenyl)-N-(pyridin-3-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name2-chloro-N-(3-methoxyphenyl)-N-(pyridin-3-ylmethyl)benzenesulfonamide
PubChem CID110360581
Molecular FormulaC19H17ClN2O3S
Molecular Weight388.88 g/mol
Exact Mass388.06
IUPAC Name2-chloro-N-(3-methoxyphenyl)-N-(pyridin-3-ylmethyl)benzenesulfonamide
SMILESCOc1cccc(N(Cc2cccnc2)S(=O)(=O)c2ccccc2Cl)c1
InChIInChI=1S/C19H17ClN2O3S/c1-25-17-8-4-7-16(12-17)22(14-15-6-5-11-21-13-15)26(23,24)19-10-3-2-9-18(19)20/h2-13H,14H2,1H3
InChIKeyMTXSNRHORAUCFJ-UHFFFAOYSA-N
XLogP4.14
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.88
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-methoxyphenyl)-N-(pyridin-3-ylmethyl)ethanesulfonamide
CID 110360546
N-(3-methoxyphenyl)-3-phenyl-N-(pyridin-3-ylmethyl)propane-1-sulfonamide
CID 110360575
4-methoxy-2-methyl-N-(4-methylphenyl)-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 110360451
3-chloro-N-(3-fluorophenyl)-N-[(3-methoxyphenyl)methyl]-2-methylbenzenesulfonamide
CID 46023259
N-benzyl-N-(3-methoxyphenyl)benzenesulfonamide
CID 24718071
N-benzyl-4-chloro-N-(3-methoxyphenyl)benzenesulfonamide
CID 46021774
2-chloro-N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 1164942
N-[(3-fluorophenyl)methyl]-N-(3-methoxyphenyl)-2-methylbenzenesulfonamide
CID 46022927
ethane;N-(3-phenoxyphenyl)-N-(pyridin-3-ylmethyl)ethanesulfonamide
CID 91055403
methyl 4-chloro-3-[(4-chlorophenyl)-(pyridin-3-ylmethyl)sulfamoyl]benzoate
CID 52634255
2-chloro-N-(3,5-dimethoxyphenyl)-N-[(2-methylphenyl)methyl]benzenesulfonamide
CID 42841749
2-chloro-N-(3,4-dimethoxyphenyl)-N-[(4-fluorophenyl)methyl]benzenesulfonamide
CID 46022483

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(3-methoxyphenyl)-N-(pyridin-3-ylmethyl)benzenesulfonamide?
The IUPAC name of 2-chloro-N-(3-methoxyphenyl)-N-(pyridin-3-ylmethyl)benzenesulfonamide (CID 110360581) is 2-chloro-N-(3-methoxyphenyl)-N-(pyridin-3-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 2-chloro-N-(3-methoxyphenyl)-N-(pyridin-3-ylmethyl)benzenesulfonamide?
The canonical SMILES for 2-chloro-N-(3-methoxyphenyl)-N-(pyridin-3-ylmethyl)benzenesulfonamide is COc1cccc(N(Cc2cccnc2)S(=O)(=O)c2ccccc2Cl)c1.
What is the InChIKey of 2-chloro-N-(3-methoxyphenyl)-N-(pyridin-3-ylmethyl)benzenesulfonamide?
The InChIKey is MTXSNRHORAUCFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN2O3S/c1-25-17-8-4-7-16(12-17)22(14-15-6-5-11-21-13-15)26(23,24)19-10-3-2-9-18(19)20/h2-13H,14H2,1H3.
What are the key properties of 2-chloro-N-(3-methoxyphenyl)-N-(pyridin-3-ylmethyl)benzenesulfonamide?
2-chloro-N-(3-methoxyphenyl)-N-(pyridin-3-ylmethyl)benzenesulfonamide has a molecular weight of 388.88 g/mol, XLogP of 4.14, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(3-methoxyphenyl)-N-(pyridin-3-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 110360581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).