N-(3-methyl-2-pyridinyl)-4-(propylamino)benzenesulfonamide

C15H19N3O2S — CID 62149767

IUPACN-(3-methyl-2-pyridinyl)-4-(propylamino)benzenesulfonamide
SMILESCCCNc1ccc(S(=O)(=O)Nc2ncccc2C)cc1
InChIInChI=1S/C15H19N3O2S/c1-3-10-16-13-6-8-14(9-7-13)21(19,20)18-15-12(2)5-4-11-17-15/h4-9,11,16H,3,10H2,1-2H3,(H,17,18)
InChIKeyUYNIVAPBDNNJGS-UHFFFAOYSA-N
MW305.40 g/mol
LogP3.01
Rot. Bonds6

About N-(3-methyl-2-pyridinyl)-4-(propylamino)benzenesulfonamide

N-(3-methyl-2-pyridinyl)-4-(propylamino)benzenesulfonamide (PubChem CID 62149767) has the molecular formula C15H19N3O2S and a molecular weight of 305.40 g/mol. Its IUPAC name is N-(3-methyl-2-pyridinyl)-4-(propylamino)benzenesulfonamide.

Molecular Properties

Compound NameN-(3-methyl-2-pyridinyl)-4-(propylamino)benzenesulfonamide
PubChem CID62149767
Molecular FormulaC15H19N3O2S
Molecular Weight305.40 g/mol
Exact Mass305.12
IUPAC NameN-(3-methyl-2-pyridinyl)-4-(propylamino)benzenesulfonamide
SMILESCCCNc1ccc(S(=O)(=O)Nc2ncccc2C)cc1
InChIInChI=1S/C15H19N3O2S/c1-3-10-16-13-6-8-14(9-7-13)21(19,20)18-15-12(2)5-4-11-17-15/h4-9,11,16H,3,10H2,1-2H3,(H,17,18)
InChIKeyUYNIVAPBDNNJGS-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

4-iodo-N-(3-methyl-2-pyridinyl)benzenesulfonamide
CID 3792615
4-(ethylaminomethyl)-N-(3-methyl-2-pyridinyl)benzenesulfonamide
CID 60822489
4-ethenyl-N-(3-methyl-2-pyridinyl)benzenesulfonamide
CID 19423365
N-(4-methyl-3-pyridinyl)-4-(propylamino)benzenesulfonamide
CID 63328119
4-[(3-chloro-1,4-dioxonaphthalen-2-yl)amino]-N-(3-methyl-2-pyridinyl)benzenesulfonamide
CID 162674851
4-(1-aminoethyl)-N-(3-methyl-2-pyridinyl)benzenesulfonamide
CID 43095409
4-(3-hydroxy-3-methylbut-1-ynyl)-N-(3-methyl-2-pyridinyl)benzenesulfonamide
CID 18758689
2-[4-[(3-methyl-2-pyridinyl)sulfamoyl]phenyl]ethanethioamide
CID 79186142
N-(4-iodophenyl)-4-(propylamino)benzenesulfonamide
CID 62142672
2,5-dimethyl-N-(3-methyl-2-pyridinyl)benzenesulfonamide
CID 15944002
4-bromo-N-[4-(propylamino)phenyl]benzenesulfonamide
CID 112979761
N-(2-methylpyrazol-3-yl)-4-(propylamino)benzenesulfonamide
CID 62157548

Frequently Asked Questions

What is the IUPAC name of N-(3-methyl-2-pyridinyl)-4-(propylamino)benzenesulfonamide?
The IUPAC name of N-(3-methyl-2-pyridinyl)-4-(propylamino)benzenesulfonamide (CID 62149767) is N-(3-methyl-2-pyridinyl)-4-(propylamino)benzenesulfonamide.
What is the SMILES notation for N-(3-methyl-2-pyridinyl)-4-(propylamino)benzenesulfonamide?
The canonical SMILES for N-(3-methyl-2-pyridinyl)-4-(propylamino)benzenesulfonamide is CCCNc1ccc(S(=O)(=O)Nc2ncccc2C)cc1.
What is the InChIKey of N-(3-methyl-2-pyridinyl)-4-(propylamino)benzenesulfonamide?
The InChIKey is UYNIVAPBDNNJGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2S/c1-3-10-16-13-6-8-14(9-7-13)21(19,20)18-15-12(2)5-4-11-17-15/h4-9,11,16H,3,10H2,1-2H3,(H,17,18).
What are the key properties of N-(3-methyl-2-pyridinyl)-4-(propylamino)benzenesulfonamide?
N-(3-methyl-2-pyridinyl)-4-(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-(3-methyl-2-pyridinyl)-4-(propylamino)benzenesulfonamide is sourced from PubChem (CID 62149767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).