5-chloro-2-methyl-N-[(3-pyridin-2-yloxyphenyl)methyl]benzenesulfonamide

C19H17ClN2O3S — CID 90596416

IUPAC5-chloro-2-methyl-N-[(3-pyridin-2-yloxyphenyl)methyl]benzenesulfonamide
SMILESCc1ccc(Cl)cc1S(=O)(=O)NCc1cccc(Oc2ccccn2)c1
InChIInChI=1S/C19H17ClN2O3S/c1-14-8-9-16(20)12-18(14)26(23,24)22-13-15-5-4-6-17(11-15)25-19-7-2-3-10-21-19/h2-12,22H,13H2,1H3
InChIKeyVLFAMJGPHJCYPF-UHFFFAOYSA-N
MW388.88 g/mol
LogP4.31
Rot. Bonds6

About 5-chloro-2-methyl-N-[(3-pyridin-2-yloxyphenyl)methyl]benzenesulfonamide

5-chloro-2-methyl-N-[(3-pyridin-2-yloxyphenyl)methyl]benzenesulfonamide (PubChem CID 90596416) has the molecular formula C19H17ClN2O3S and a molecular weight of 388.88 g/mol. Its IUPAC name is 5-chloro-2-methyl-N-[(3-pyridin-2-yloxyphenyl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name5-chloro-2-methyl-N-[(3-pyridin-2-yloxyphenyl)methyl]benzenesulfonamide
PubChem CID90596416
Molecular FormulaC19H17ClN2O3S
Molecular Weight388.88 g/mol
Exact Mass388.06
IUPAC Name5-chloro-2-methyl-N-[(3-pyridin-2-yloxyphenyl)methyl]benzenesulfonamide
SMILESCc1ccc(Cl)cc1S(=O)(=O)NCc1cccc(Oc2ccccn2)c1
InChIInChI=1S/C19H17ClN2O3S/c1-14-8-9-16(20)12-18(14)26(23,24)22-13-15-5-4-6-17(11-15)25-19-7-2-3-10-21-19/h2-12,22H,13H2,1H3
InChIKeyVLFAMJGPHJCYPF-UHFFFAOYSA-N
XLogP4.31
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.88
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-propan-2-yl-N-[(3-pyridin-2-yloxyphenyl)methyl]benzenesulfonamide
CID 90596408
4-(2-chlorophenoxy)-N-[(3-pyridin-2-yloxyphenyl)methyl]benzenesulfonamide
CID 90596467
N-[(3-pyridin-2-yloxyphenyl)methyl]butane-1-sulfonamide
CID 90596373
N-[(3-pyridin-2-yloxyphenyl)methyl]-4-(trifluoromethoxy)benzenesulfonamide
CID 90596443
2-methyl-N-[(3-pyridin-2-yloxyphenyl)methyl]propan-2-amine
CID 71120054
1-(4-fluorophenyl)-N-[(3-pyridin-2-yloxyphenyl)methyl]methanesulfonamide
CID 90596395
1-(3,5-difluorophenyl)-N-[(3-pyridin-2-yloxyphenyl)methyl]methanesulfonamide
CID 90596461
N-[(3-methoxyphenyl)methyl]-2-methyl-5-methylsulfonylbenzenesulfonamide
CID 55915793
2-methoxy-N-[(3-pyridin-2-yloxyphenyl)methyl]acetamide
CID 90596122
5-chloro-N-[(3-chlorophenyl)methyl]-2-methoxybenzenesulfonamide
CID 25045685
2-[3-(methoxymethyl)phenoxy]pyridine
CID 174239052
(E)-N-[(3-pyridin-2-yloxyphenyl)methyl]but-2-enamide
CID 90596212

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-methyl-N-[(3-pyridin-2-yloxyphenyl)methyl]benzenesulfonamide?
The IUPAC name of 5-chloro-2-methyl-N-[(3-pyridin-2-yloxyphenyl)methyl]benzenesulfonamide (CID 90596416) is 5-chloro-2-methyl-N-[(3-pyridin-2-yloxyphenyl)methyl]benzenesulfonamide.
What is the SMILES notation for 5-chloro-2-methyl-N-[(3-pyridin-2-yloxyphenyl)methyl]benzenesulfonamide?
The canonical SMILES for 5-chloro-2-methyl-N-[(3-pyridin-2-yloxyphenyl)methyl]benzenesulfonamide is Cc1ccc(Cl)cc1S(=O)(=O)NCc1cccc(Oc2ccccn2)c1.
What is the InChIKey of 5-chloro-2-methyl-N-[(3-pyridin-2-yloxyphenyl)methyl]benzenesulfonamide?
The InChIKey is VLFAMJGPHJCYPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN2O3S/c1-14-8-9-16(20)12-18(14)26(23,24)22-13-15-5-4-6-17(11-15)25-19-7-2-3-10-21-19/h2-12,22H,13H2,1H3.
What are the key properties of 5-chloro-2-methyl-N-[(3-pyridin-2-yloxyphenyl)methyl]benzenesulfonamide?
5-chloro-2-methyl-N-[(3-pyridin-2-yloxyphenyl)methyl]benzenesulfonamide has a molecular weight of 388.88 g/mol, XLogP of 4.31, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-methyl-N-[(3-pyridin-2-yloxyphenyl)methyl]benzenesulfonamide is sourced from PubChem (CID 90596416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).