N-propan-2-yl-4-(pyridin-3-ylmethylamino)benzenesulfonamide

C15H19N3O2S — CID 43454156

IUPACN-propan-2-yl-4-(pyridin-3-ylmethylamino)benzenesulfonamide
SMILESCC(C)NS(=O)(=O)c1ccc(NCc2cccnc2)cc1
InChIInChI=1S/C15H19N3O2S/c1-12(2)18-21(19,20)15-7-5-14(6-8-15)17-11-13-4-3-9-16-10-13/h3-10,12,17-18H,11H2,1-2H3
InChIKeyPCYKSOYPVSZVRI-UHFFFAOYSA-N
MW305.40 g/mol
LogP2.38
Rot. Bonds6

About N-propan-2-yl-4-(pyridin-3-ylmethylamino)benzenesulfonamide

N-propan-2-yl-4-(pyridin-3-ylmethylamino)benzenesulfonamide (PubChem CID 43454156) has the molecular formula C15H19N3O2S and a molecular weight of 305.40 g/mol. Its IUPAC name is N-propan-2-yl-4-(pyridin-3-ylmethylamino)benzenesulfonamide.

Molecular Properties

Compound NameN-propan-2-yl-4-(pyridin-3-ylmethylamino)benzenesulfonamide
PubChem CID43454156
Molecular FormulaC15H19N3O2S
Molecular Weight305.40 g/mol
Exact Mass305.12
IUPAC NameN-propan-2-yl-4-(pyridin-3-ylmethylamino)benzenesulfonamide
SMILESCC(C)NS(=O)(=O)c1ccc(NCc2cccnc2)cc1
InChIInChI=1S/C15H19N3O2S/c1-12(2)18-21(19,20)15-7-5-14(6-8-15)17-11-13-4-3-9-16-10-13/h3-10,12,17-18H,11H2,1-2H3
InChIKeyPCYKSOYPVSZVRI-UHFFFAOYSA-N
XLogP2.38
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 ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-N-[4-(pyridin-3-ylmethylamino)phenyl]benzenesulfonamide
CID 112983095
4-chloro-3-methyl-N-[4-(pyridin-3-ylmethylamino)phenyl]benzenesulfonamide
CID 112983096
4-(propan-2-ylsulfamoyl)-N-(2-pyridin-3-ylethyl)benzamide
CID 36866769
3-[[4-(dimethylsulfamoylamino)anilino]methyl]pyridine
CID 112983066
2-methyl-1-[4-(pyridin-3-ylmethylamino)phenyl]propan-1-one
CID 95463721
2-amino-N-methyl-4-(pyridin-3-ylmethylamino)benzenesulfonamide
CID 80645584
4-(methoxymethyl)-N-(pyridin-3-ylmethyl)aniline
CID 83961082
N-[4-(pyridin-3-ylmethylamino)phenyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 112983088
N-(pyridin-3-ylmethyl)pyridin-3-amine
CID 13304847
4-[(2-chloro-1,3-thiazol-5-yl)methylamino]-N-propan-2-ylbenzenesulfonamide
CID 75434080
N-propan-2-yl-4-(pyridin-3-ylmethylsulfamoyl)benzamide
CID 109058145
(2S)-2-[(4-methoxyphenyl)sulfonylamino]-N-(pyridin-3-ylmethyl)propanamide
CID 24538493

Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-4-(pyridin-3-ylmethylamino)benzenesulfonamide?
The IUPAC name of N-propan-2-yl-4-(pyridin-3-ylmethylamino)benzenesulfonamide (CID 43454156) is N-propan-2-yl-4-(pyridin-3-ylmethylamino)benzenesulfonamide.
What is the SMILES notation for N-propan-2-yl-4-(pyridin-3-ylmethylamino)benzenesulfonamide?
The canonical SMILES for N-propan-2-yl-4-(pyridin-3-ylmethylamino)benzenesulfonamide is CC(C)NS(=O)(=O)c1ccc(NCc2cccnc2)cc1.
What is the InChIKey of N-propan-2-yl-4-(pyridin-3-ylmethylamino)benzenesulfonamide?
The InChIKey is PCYKSOYPVSZVRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2S/c1-12(2)18-21(19,20)15-7-5-14(6-8-15)17-11-13-4-3-9-16-10-13/h3-10,12,17-18H,11H2,1-2H3.
What are the key properties of N-propan-2-yl-4-(pyridin-3-ylmethylamino)benzenesulfonamide?
N-propan-2-yl-4-(pyridin-3-ylmethylamino)benzenesulfonamide has a molecular weight of 305.40 g/mol, XLogP of 2.38, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-4-(pyridin-3-ylmethylamino)benzenesulfonamide is sourced from PubChem (CID 43454156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).