N-[5-(4-methylanilino)-2-pyridinyl]propane-1-sulfonamide

C15H19N3O2S — CID 113031592

IUPACN-[5-(4-methylanilino)-2-pyridinyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)Nc1ccc(Nc2ccc(C)cc2)cn1
InChIInChI=1S/C15H19N3O2S/c1-3-10-21(19,20)18-15-9-8-14(11-16-15)17-13-6-4-12(2)5-7-13/h4-9,11,17H,3,10H2,1-2H3,(H,16,18)
InChIKeySVTVKWGKSITWOS-UHFFFAOYSA-N
MW305.40 g/mol
LogP3.29
Rot. Bonds6

About N-[5-(4-methylanilino)-2-pyridinyl]propane-1-sulfonamide

N-[5-(4-methylanilino)-2-pyridinyl]propane-1-sulfonamide (PubChem CID 113031592) has the molecular formula C15H19N3O2S and a molecular weight of 305.40 g/mol. Its IUPAC name is N-[5-(4-methylanilino)-2-pyridinyl]propane-1-sulfonamide.

Molecular Properties

Compound NameN-[5-(4-methylanilino)-2-pyridinyl]propane-1-sulfonamide
PubChem CID113031592
Molecular FormulaC15H19N3O2S
Molecular Weight305.40 g/mol
Exact Mass305.12
IUPAC NameN-[5-(4-methylanilino)-2-pyridinyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)Nc1ccc(Nc2ccc(C)cc2)cn1
InChIInChI=1S/C15H19N3O2S/c1-3-10-21(19,20)18-15-9-8-14(11-16-15)17-13-6-4-12(2)5-7-13/h4-9,11,17H,3,10H2,1-2H3,(H,16,18)
InChIKeySVTVKWGKSITWOS-UHFFFAOYSA-N
XLogP3.29
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-(2,5-dimethylanilino)-2-pyridinyl]propane-1-sulfonamide
CID 113032063
N-[4-(4-methylanilino)phenyl]propane-1-sulfonamide
CID 112986049
N-[5-(3,4-difluoroanilino)-2-pyridinyl]propane-1-sulfonamide
CID 113037630
N-[5-(4-pyrrolidin-1-ylanilino)-2-pyridinyl]propane-1-sulfonamide
CID 113035669
N-[5-(4-chloroanilino)-2-pyridinyl]ethanesulfonamide
CID 113033415
N-[5-[4-(dimethylamino)anilino]-2-pyridinyl]ethanesulfonamide
CID 113035551
N-[5-(3,4-dimethylanilino)-2-pyridinyl]ethanesulfonamide
CID 113032137
N-[5-(2-methylanilino)-2-pyridinyl]butane-1-sulfonamide
CID 113031365
N-[5-[(4-fluorophenyl)methylamino]-2-pyridinyl]propane-1-sulfonamide
CID 113027137
N-[5-(4-methylanilino)-2-pyridinyl]propanamide
CID 113031521
N-(5-anilino-2-pyridinyl)-3-phenylpropane-1-sulfonamide
CID 113031280
N-[5-(cyclopropylamino)-2-pyridinyl]butane-1-sulfonamide
CID 113023763

Frequently Asked Questions

What is the IUPAC name of N-[5-(4-methylanilino)-2-pyridinyl]propane-1-sulfonamide?
The IUPAC name of N-[5-(4-methylanilino)-2-pyridinyl]propane-1-sulfonamide (CID 113031592) is N-[5-(4-methylanilino)-2-pyridinyl]propane-1-sulfonamide.
What is the SMILES notation for N-[5-(4-methylanilino)-2-pyridinyl]propane-1-sulfonamide?
The canonical SMILES for N-[5-(4-methylanilino)-2-pyridinyl]propane-1-sulfonamide is CCCS(=O)(=O)Nc1ccc(Nc2ccc(C)cc2)cn1.
What is the InChIKey of N-[5-(4-methylanilino)-2-pyridinyl]propane-1-sulfonamide?
The InChIKey is SVTVKWGKSITWOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2S/c1-3-10-21(19,20)18-15-9-8-14(11-16-15)17-13-6-4-12(2)5-7-13/h4-9,11,17H,3,10H2,1-2H3,(H,16,18).
What are the key properties of N-[5-(4-methylanilino)-2-pyridinyl]propane-1-sulfonamide?
N-[5-(4-methylanilino)-2-pyridinyl]propane-1-sulfonamide has a molecular weight of 305.40 g/mol, XLogP of 3.29, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(4-methylanilino)-2-pyridinyl]propane-1-sulfonamide is sourced from PubChem (CID 113031592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).