5-chloro-2-methoxy-N-[5-(4-methylphenyl)-3-pyridinyl]benzenesulfonamide

C19H17ClN2O3S — CID 56684239

IUPAC5-chloro-2-methoxy-N-[5-(4-methylphenyl)-3-pyridinyl]benzenesulfonamide
SMILESCOc1ccc(Cl)cc1S(=O)(=O)Nc1cncc(-c2ccc(C)cc2)c1
InChIInChI=1S/C19H17ClN2O3S/c1-13-3-5-14(6-4-13)15-9-17(12-21-11-15)22-26(23,24)19-10-16(20)7-8-18(19)25-2/h3-12,22H,1-2H3
InChIKeyFYWDGTCQYYXZDY-UHFFFAOYSA-N
MW388.88 g/mol
LogP4.52
Rot. Bonds5

About 5-chloro-2-methoxy-N-[5-(4-methylphenyl)-3-pyridinyl]benzenesulfonamide

5-chloro-2-methoxy-N-[5-(4-methylphenyl)-3-pyridinyl]benzenesulfonamide (PubChem CID 56684239) has the molecular formula C19H17ClN2O3S and a molecular weight of 388.88 g/mol. Its IUPAC name is 5-chloro-2-methoxy-N-[5-(4-methylphenyl)-3-pyridinyl]benzenesulfonamide.

Molecular Properties

Compound Name5-chloro-2-methoxy-N-[5-(4-methylphenyl)-3-pyridinyl]benzenesulfonamide
PubChem CID56684239
Molecular FormulaC19H17ClN2O3S
Molecular Weight388.88 g/mol
Exact Mass388.06
IUPAC Name5-chloro-2-methoxy-N-[5-(4-methylphenyl)-3-pyridinyl]benzenesulfonamide
SMILESCOc1ccc(Cl)cc1S(=O)(=O)Nc1cncc(-c2ccc(C)cc2)c1
InChIInChI=1S/C19H17ClN2O3S/c1-13-3-5-14(6-4-13)15-9-17(12-21-11-15)22-26(23,24)19-10-16(20)7-8-18(19)25-2/h3-12,22H,1-2H3
InChIKeyFYWDGTCQYYXZDY-UHFFFAOYSA-N
XLogP4.52
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.88
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-methoxy-N-[5-(4-methylphenyl)-3-pyridinyl]benzenesulfonamide?
The IUPAC name of 5-chloro-2-methoxy-N-[5-(4-methylphenyl)-3-pyridinyl]benzenesulfonamide (CID 56684239) is 5-chloro-2-methoxy-N-[5-(4-methylphenyl)-3-pyridinyl]benzenesulfonamide.
What is the SMILES notation for 5-chloro-2-methoxy-N-[5-(4-methylphenyl)-3-pyridinyl]benzenesulfonamide?
The canonical SMILES for 5-chloro-2-methoxy-N-[5-(4-methylphenyl)-3-pyridinyl]benzenesulfonamide is COc1ccc(Cl)cc1S(=O)(=O)Nc1cncc(-c2ccc(C)cc2)c1.
What is the InChIKey of 5-chloro-2-methoxy-N-[5-(4-methylphenyl)-3-pyridinyl]benzenesulfonamide?
The InChIKey is FYWDGTCQYYXZDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN2O3S/c1-13-3-5-14(6-4-13)15-9-17(12-21-11-15)22-26(23,24)19-10-16(20)7-8-18(19)25-2/h3-12,22H,1-2H3.
What are the key properties of 5-chloro-2-methoxy-N-[5-(4-methylphenyl)-3-pyridinyl]benzenesulfonamide?
5-chloro-2-methoxy-N-[5-(4-methylphenyl)-3-pyridinyl]benzenesulfonamide has a molecular weight of 388.88 g/mol, XLogP of 4.52, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-methoxy-N-[5-(4-methylphenyl)-3-pyridinyl]benzenesulfonamide is sourced from PubChem (CID 56684239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).