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

C15H19N3O2S — CID 63328119

IUPACN-(4-methyl-3-pyridinyl)-4-(propylamino)benzenesulfonamide
SMILESCCCNc1ccc(S(=O)(=O)Nc2cnccc2C)cc1
InChIInChI=1S/C15H19N3O2S/c1-3-9-17-13-4-6-14(7-5-13)21(19,20)18-15-11-16-10-8-12(15)2/h4-8,10-11,17-18H,3,9H2,1-2H3
InChIKeyNOPZXWWWYJWJGY-UHFFFAOYSA-N
MW305.40 g/mol
LogP3.01
Rot. Bonds6

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

N-(4-methyl-3-pyridinyl)-4-(propylamino)benzenesulfonamide (PubChem CID 63328119) has the molecular formula C15H19N3O2S and a molecular weight of 305.40 g/mol. Its IUPAC name is N-(4-methyl-3-pyridinyl)-4-(propylamino)benzenesulfonamide.

Molecular Properties

Compound NameN-(4-methyl-3-pyridinyl)-4-(propylamino)benzenesulfonamide
PubChem CID63328119
Molecular FormulaC15H19N3O2S
Molecular Weight305.40 g/mol
Exact Mass305.12
IUPAC NameN-(4-methyl-3-pyridinyl)-4-(propylamino)benzenesulfonamide
SMILESCCCNc1ccc(S(=O)(=O)Nc2cnccc2C)cc1
InChIInChI=1S/C15H19N3O2S/c1-3-9-17-13-4-6-14(7-5-13)21(19,20)18-15-11-16-10-8-12(15)2/h4-8,10-11,17-18H,3,9H2,1-2H3
InChIKeyNOPZXWWWYJWJGY-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

N-(3-fluoro-4-pyridinyl)-4-(propylamino)benzenesulfonamide
CID 107595393
N-(4-methyl-3-pyridinyl)-6-(propylamino)pyridine-3-sulfonamide
CID 63328166
4-(2-aminoethyl)-N-(4-methyl-3-pyridinyl)benzenesulfonamide
CID 63327769
N-(3-methyl-2-pyridinyl)-4-(propylamino)benzenesulfonamide
CID 62149767
3-(aminomethyl)-4-ethyl-N-(4-methyl-3-pyridinyl)benzenesulfonamide
CID 106063140
4-(3-hydroxyprop-1-ynyl)-N-(4-methyl-3-pyridinyl)benzenesulfonamide
CID 63328163
N-(4-iodophenyl)-4-(propylamino)benzenesulfonamide
CID 62142672
3-amino-4-chloro-N-(4-methyl-3-pyridinyl)benzenesulfonamide
CID 55201502
4-(aminomethyl)-3-methyl-N-(4-methyl-3-pyridinyl)benzenesulfonamide
CID 106919393
4-(ethylamino)-N-(5-fluoro-2-methylphenyl)benzenesulfonamide
CID 62145399
N-(1,2-oxazol-3-yl)-4-(propylamino)benzenesulfonamide
CID 62904312
4-bromo-N-[4-(propylamino)phenyl]benzenesulfonamide
CID 112979761

Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-3-pyridinyl)-4-(propylamino)benzenesulfonamide?
The IUPAC name of N-(4-methyl-3-pyridinyl)-4-(propylamino)benzenesulfonamide (CID 63328119) is N-(4-methyl-3-pyridinyl)-4-(propylamino)benzenesulfonamide.
What is the SMILES notation for N-(4-methyl-3-pyridinyl)-4-(propylamino)benzenesulfonamide?
The canonical SMILES for N-(4-methyl-3-pyridinyl)-4-(propylamino)benzenesulfonamide is CCCNc1ccc(S(=O)(=O)Nc2cnccc2C)cc1.
What is the InChIKey of N-(4-methyl-3-pyridinyl)-4-(propylamino)benzenesulfonamide?
The InChIKey is NOPZXWWWYJWJGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2S/c1-3-9-17-13-4-6-14(7-5-13)21(19,20)18-15-11-16-10-8-12(15)2/h4-8,10-11,17-18H,3,9H2,1-2H3.
What are the key properties of N-(4-methyl-3-pyridinyl)-4-(propylamino)benzenesulfonamide?
N-(4-methyl-3-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-(4-methyl-3-pyridinyl)-4-(propylamino)benzenesulfonamide is sourced from PubChem (CID 63328119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).