N-[6-(2-chloroanilino)-3-pyridinyl]-4-methylbenzenesulfonamide

C18H16ClN3O2S — CID 113018469

IUPACN-[6-(2-chloroanilino)-3-pyridinyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(Nc3ccccc3Cl)nc2)cc1
InChIInChI=1S/C18H16ClN3O2S/c1-13-6-9-15(10-7-13)25(23,24)22-14-8-11-18(20-12-14)21-17-5-3-2-4-16(17)19/h2-12,22H,1H3,(H,20,21)
InChIKeyLNCWQQREXFRESZ-UHFFFAOYSA-N
MW373.87 g/mol
LogP4.59
Rot. Bonds5

About N-[6-(2-chloroanilino)-3-pyridinyl]-4-methylbenzenesulfonamide

N-[6-(2-chloroanilino)-3-pyridinyl]-4-methylbenzenesulfonamide (PubChem CID 113018469) has the molecular formula C18H16ClN3O2S and a molecular weight of 373.87 g/mol. Its IUPAC name is N-[6-(2-chloroanilino)-3-pyridinyl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[6-(2-chloroanilino)-3-pyridinyl]-4-methylbenzenesulfonamide
PubChem CID113018469
Molecular FormulaC18H16ClN3O2S
Molecular Weight373.87 g/mol
Exact Mass373.07
IUPAC NameN-[6-(2-chloroanilino)-3-pyridinyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(Nc3ccccc3Cl)nc2)cc1
InChIInChI=1S/C18H16ClN3O2S/c1-13-6-9-15(10-7-13)25(23,24)22-14-8-11-18(20-12-14)21-17-5-3-2-4-16(17)19/h2-12,22H,1H3,(H,20,21)
InChIKeyLNCWQQREXFRESZ-UHFFFAOYSA-N
XLogP4.59
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.87
LogP ≤ 54.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-N-[6-(2-methylanilino)-3-pyridinyl]benzenesulfonamide
CID 113016153
N-[6-(5-chloro-2-methylanilino)-3-pyridinyl]-4-methylbenzenesulfonamide
CID 113018806
N-[4-[(2-chlorophenyl)sulfamoyl]phenyl]-4-methylbenzenesulfonamide
CID 1318754
N-[6-(2-methylanilino)-3-pyridinyl]-4-propan-2-ylbenzenesulfonamide
CID 113016162
4-methyl-N-[6-(2,4,6-trimethylanilino)-3-pyridinyl]benzenesulfonamide
CID 113017941
N-[6-(2,3-dimethylanilino)-3-pyridinyl]-4-propan-2-ylbenzenesulfonamide
CID 113017322
N-[6-(2-ethoxyanilino)-3-pyridinyl]benzenesulfonamide
CID 113019644
4-methyl-N-(6-methyl-3-pyridinyl)benzenesulfonamide
CID 84581619
N-[6-(3-methylanilino)-3-pyridinyl]benzenesulfonamide
CID 113016273
N-[6-(2-chloroanilino)-3-pyridinyl]-2-phenylethanesulfonamide
CID 113018483
4-methyl-N-[6-(pyridin-2-ylmethylamino)-3-pyridinyl]benzenesulfonamide
CID 113012724
N-[6-(3-chloro-2-methylanilino)-3-pyridinyl]-5-methylthiophene-2-sulfonamide
CID 113018737

Frequently Asked Questions

What is the IUPAC name of N-[6-(2-chloroanilino)-3-pyridinyl]-4-methylbenzenesulfonamide?
The IUPAC name of N-[6-(2-chloroanilino)-3-pyridinyl]-4-methylbenzenesulfonamide (CID 113018469) is N-[6-(2-chloroanilino)-3-pyridinyl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[6-(2-chloroanilino)-3-pyridinyl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[6-(2-chloroanilino)-3-pyridinyl]-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2ccc(Nc3ccccc3Cl)nc2)cc1.
What is the InChIKey of N-[6-(2-chloroanilino)-3-pyridinyl]-4-methylbenzenesulfonamide?
The InChIKey is LNCWQQREXFRESZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN3O2S/c1-13-6-9-15(10-7-13)25(23,24)22-14-8-11-18(20-12-14)21-17-5-3-2-4-16(17)19/h2-12,22H,1H3,(H,20,21).
What are the key properties of N-[6-(2-chloroanilino)-3-pyridinyl]-4-methylbenzenesulfonamide?
N-[6-(2-chloroanilino)-3-pyridinyl]-4-methylbenzenesulfonamide has a molecular weight of 373.87 g/mol, XLogP of 4.59, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(2-chloroanilino)-3-pyridinyl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 113018469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).