N-(2-methyl-4-pyridinyl)-2-(propylamino)benzenesulfonamide

C15H19N3O2S — CID 79233091

IUPACN-(2-methyl-4-pyridinyl)-2-(propylamino)benzenesulfonamide
SMILESCCCNc1ccccc1S(=O)(=O)Nc1ccnc(C)c1
InChIInChI=1S/C15H19N3O2S/c1-3-9-17-14-6-4-5-7-15(14)21(19,20)18-13-8-10-16-12(2)11-13/h4-8,10-11,17H,3,9H2,1-2H3,(H,16,18)
InChIKeySLRMQWMHIDFJLC-UHFFFAOYSA-N
MW305.40 g/mol
LogP3.01
Rot. Bonds6

About N-(2-methyl-4-pyridinyl)-2-(propylamino)benzenesulfonamide

N-(2-methyl-4-pyridinyl)-2-(propylamino)benzenesulfonamide (PubChem CID 79233091) has the molecular formula C15H19N3O2S and a molecular weight of 305.40 g/mol. Its IUPAC name is N-(2-methyl-4-pyridinyl)-2-(propylamino)benzenesulfonamide.

Molecular Properties

Compound NameN-(2-methyl-4-pyridinyl)-2-(propylamino)benzenesulfonamide
PubChem CID79233091
Molecular FormulaC15H19N3O2S
Molecular Weight305.40 g/mol
Exact Mass305.12
IUPAC NameN-(2-methyl-4-pyridinyl)-2-(propylamino)benzenesulfonamide
SMILESCCCNc1ccccc1S(=O)(=O)Nc1ccnc(C)c1
InChIInChI=1S/C15H19N3O2S/c1-3-9-17-14-6-4-5-7-15(14)21(19,20)18-13-8-10-16-12(2)11-13/h4-8,10-11,17H,3,9H2,1-2H3,(H,16,18)
InChIKeySLRMQWMHIDFJLC-UHFFFAOYSA-N
XLogP3.01
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 ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(methylamino)-N-(2-methyl-4-pyridinyl)benzenesulfonamide
CID 79240316
N-(2-methyl-4-pyridinyl)-2-(propylamino)pyridine-3-sulfonamide
CID 79233082
2-hydrazinyl-N-(2-methyl-4-pyridinyl)benzenesulfonamide
CID 79240880
2-methyl-N-(2-methyl-4-pyridinyl)benzenesulfonamide
CID 78955887
N-(3-fluorophenyl)-2-(propylamino)benzenesulfonamide
CID 62143114
2-methyl-N-propylpyridin-4-amine
CID 79240818
2-(propylamino)-N-(1H-pyrazol-4-yl)benzenesulfonamide
CID 55043588
N-(2-methyl-4-pyridinyl)-4-propylbenzenesulfonamide
CID 110757506
4-ethoxy-2,5-dimethyl-N-(2-methyl-4-pyridinyl)benzenesulfonamide
CID 110756905
5-(ethylaminomethyl)-2-methyl-N-(2-methyl-4-pyridinyl)thiophene-3-sulfonamide
CID 106071355
N-(3-methylphenyl)-2-(propylamino)pyridine-3-sulfonamide
CID 62149101
3-amino-N-(2-methyl-4-pyridinyl)-1-propylpyrazole-4-sulfonamide
CID 79234839

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-4-pyridinyl)-2-(propylamino)benzenesulfonamide?
The IUPAC name of N-(2-methyl-4-pyridinyl)-2-(propylamino)benzenesulfonamide (CID 79233091) is N-(2-methyl-4-pyridinyl)-2-(propylamino)benzenesulfonamide.
What is the SMILES notation for N-(2-methyl-4-pyridinyl)-2-(propylamino)benzenesulfonamide?
The canonical SMILES for N-(2-methyl-4-pyridinyl)-2-(propylamino)benzenesulfonamide is CCCNc1ccccc1S(=O)(=O)Nc1ccnc(C)c1.
What is the InChIKey of N-(2-methyl-4-pyridinyl)-2-(propylamino)benzenesulfonamide?
The InChIKey is SLRMQWMHIDFJLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2S/c1-3-9-17-14-6-4-5-7-15(14)21(19,20)18-13-8-10-16-12(2)11-13/h4-8,10-11,17H,3,9H2,1-2H3,(H,16,18).
What are the key properties of N-(2-methyl-4-pyridinyl)-2-(propylamino)benzenesulfonamide?
N-(2-methyl-4-pyridinyl)-2-(propylamino)benzenesulfonamide has a molecular weight of 305.40 g/mol, XLogP of 3.01, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-4-pyridinyl)-2-(propylamino)benzenesulfonamide is sourced from PubChem (CID 79233091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).