N-[5-(4-chloroanilino)-2-pyridinyl]-2,5-dimethylbenzenesulfonamide

C19H18ClN3O2S — CID 113033426

IUPACN-[5-(4-chloroanilino)-2-pyridinyl]-2,5-dimethylbenzenesulfonamide
SMILESCc1ccc(C)c(S(=O)(=O)Nc2ccc(Nc3ccc(Cl)cc3)cn2)c1
InChIInChI=1S/C19H18ClN3O2S/c1-13-3-4-14(2)18(11-13)26(24,25)23-19-10-9-17(12-21-19)22-16-7-5-15(20)6-8-16/h3-12,22H,1-2H3,(H,21,23)
InChIKeyMISCJLYDVVREGO-UHFFFAOYSA-N
MW387.89 g/mol
LogP4.90
Rot. Bonds5

About N-[5-(4-chloroanilino)-2-pyridinyl]-2,5-dimethylbenzenesulfonamide

N-[5-(4-chloroanilino)-2-pyridinyl]-2,5-dimethylbenzenesulfonamide (PubChem CID 113033426) has the molecular formula C19H18ClN3O2S and a molecular weight of 387.89 g/mol. Its IUPAC name is N-[5-(4-chloroanilino)-2-pyridinyl]-2,5-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-[5-(4-chloroanilino)-2-pyridinyl]-2,5-dimethylbenzenesulfonamide
PubChem CID113033426
Molecular FormulaC19H18ClN3O2S
Molecular Weight387.89 g/mol
Exact Mass387.08
IUPAC NameN-[5-(4-chloroanilino)-2-pyridinyl]-2,5-dimethylbenzenesulfonamide
SMILESCc1ccc(C)c(S(=O)(=O)Nc2ccc(Nc3ccc(Cl)cc3)cn2)c1
InChIInChI=1S/C19H18ClN3O2S/c1-13-3-4-14(2)18(11-13)26(24,25)23-19-10-9-17(12-21-19)22-16-7-5-15(20)6-8-16/h3-12,22H,1-2H3,(H,21,23)
InChIKeyMISCJLYDVVREGO-UHFFFAOYSA-N
XLogP4.90
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.89
LogP ≤ 54.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-chloro-2-pyridinyl)-2,5-dimethylbenzenesulfonamide
CID 8523459
N-[5-(4-ethoxyanilino)-2-pyridinyl]-2,5-dimethylbenzenesulfonamide
CID 113034396
N-[5-(2-cyanoanilino)-2-pyridinyl]-2,5-dimethylbenzenesulfonamide
CID 113037114
N-(5-amino-2-pyridinyl)-2,5-dimethylbenzenesulfonamide
CID 43144676
2,5-dimethyl-N-[5-(pyridin-2-ylmethylamino)-2-pyridinyl]benzenesulfonamide
CID 113027707
N-[5-(2,5-dimethylanilino)-2-pyridinyl]-2-methoxy-5-methylbenzenesulfonamide
CID 113032075
N-[4-[(4-chlorophenyl)sulfamoyl]phenyl]-2,5-dimethylbenzenesulfonamide
CID 22202628
2,5-dimethyl-N-[6-(propan-2-ylamino)-3-pyridinyl]benzenesulfonamide
CID 113009175
5-amino-N-(5-chloro-2-pyridinyl)-2-methylbenzenesulfonamide
CID 28893400
N-(6-chloro-5-methyl-3-pyridinyl)-2,5-dimethylbenzenesulfonamide
CID 103744880
N-[5-(furan-2-ylmethylamino)-2-pyridinyl]-2,5-dimethylbenzenesulfonamide
CID 113026317
N-[5-(4-chloroanilino)-2-pyridinyl]ethanesulfonamide
CID 113033415

Frequently Asked Questions

What is the IUPAC name of N-[5-(4-chloroanilino)-2-pyridinyl]-2,5-dimethylbenzenesulfonamide?
The IUPAC name of N-[5-(4-chloroanilino)-2-pyridinyl]-2,5-dimethylbenzenesulfonamide (CID 113033426) is N-[5-(4-chloroanilino)-2-pyridinyl]-2,5-dimethylbenzenesulfonamide.
What is the SMILES notation for N-[5-(4-chloroanilino)-2-pyridinyl]-2,5-dimethylbenzenesulfonamide?
The canonical SMILES for N-[5-(4-chloroanilino)-2-pyridinyl]-2,5-dimethylbenzenesulfonamide is Cc1ccc(C)c(S(=O)(=O)Nc2ccc(Nc3ccc(Cl)cc3)cn2)c1.
What is the InChIKey of N-[5-(4-chloroanilino)-2-pyridinyl]-2,5-dimethylbenzenesulfonamide?
The InChIKey is MISCJLYDVVREGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN3O2S/c1-13-3-4-14(2)18(11-13)26(24,25)23-19-10-9-17(12-21-19)22-16-7-5-15(20)6-8-16/h3-12,22H,1-2H3,(H,21,23).
What are the key properties of N-[5-(4-chloroanilino)-2-pyridinyl]-2,5-dimethylbenzenesulfonamide?
N-[5-(4-chloroanilino)-2-pyridinyl]-2,5-dimethylbenzenesulfonamide has a molecular weight of 387.89 g/mol, XLogP of 4.90, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(4-chloroanilino)-2-pyridinyl]-2,5-dimethylbenzenesulfonamide is sourced from PubChem (CID 113033426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).