2,4-dimethyl-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]benzenesulfonamide

C18H23N3O2S — CID 36583669

IUPAC2,4-dimethyl-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCc2ccnc(N3CCCC3)c2)c(C)c1
InChIInChI=1S/C18H23N3O2S/c1-14-5-6-17(15(2)11-14)24(22,23)20-13-16-7-8-19-18(12-16)21-9-3-4-10-21/h5-8,11-12,20H,3-4,9-10,13H2,1-2H3
InChIKeyPSFXRFINGASKDQ-UHFFFAOYSA-N
MW345.47 g/mol
LogP2.78
Rot. Bonds5

About 2,4-dimethyl-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]benzenesulfonamide

2,4-dimethyl-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]benzenesulfonamide (PubChem CID 36583669) has the molecular formula C18H23N3O2S and a molecular weight of 345.47 g/mol. Its IUPAC name is 2,4-dimethyl-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name2,4-dimethyl-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]benzenesulfonamide
PubChem CID36583669
Molecular FormulaC18H23N3O2S
Molecular Weight345.47 g/mol
Exact Mass345.15
IUPAC Name2,4-dimethyl-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCc2ccnc(N3CCCC3)c2)c(C)c1
InChIInChI=1S/C18H23N3O2S/c1-14-5-6-17(15(2)11-14)24(22,23)20-13-16-7-8-19-18(12-16)21-9-3-4-10-21/h5-8,11-12,20H,3-4,9-10,13H2,1-2H3
InChIKeyPSFXRFINGASKDQ-UHFFFAOYSA-N
XLogP2.78
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.47
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,4,6-trimethyl-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]benzenesulfonamide
CID 55872466
3-methyl-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]quinoline-8-sulfonamide
CID 55873879
2-fluoro-4,5-dimethoxy-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]benzenesulfonamide
CID 35323775
1,2-dimethyl-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]imidazole-4-sulfonamide
CID 47092488
N-[[2-(azepan-1-yl)-4-pyridinyl]methyl]-2-(trifluoromethyl)benzenesulfonamide
CID 75420088
3,4-difluoro-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]benzenesulfonamide
CID 36583572
6-chloro-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]pyridine-3-sulfonamide
CID 55874135
4-chloro-2-methyl-N-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methyl]benzenesulfonamide
CID 55906894
2,4-dimethyl-N-[2-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)amino]ethyl]benzenesulfonamide
CID 121075374
2,4,5-trimethyl-N-[(4-pyrrolidin-1-ylpyrimidin-2-yl)methyl]benzenesulfonamide
CID 91966578
3-[(2,4-dimethylphenyl)sulfonylamino]-N-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methyl]propanamide
CID 55849533
1-[2-(azocan-1-yl)-4-pyridinyl]-N-methylmethanamine
CID 62280361

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]benzenesulfonamide?
The IUPAC name of 2,4-dimethyl-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]benzenesulfonamide (CID 36583669) is 2,4-dimethyl-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]benzenesulfonamide.
What is the SMILES notation for 2,4-dimethyl-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]benzenesulfonamide?
The canonical SMILES for 2,4-dimethyl-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]benzenesulfonamide is Cc1ccc(S(=O)(=O)NCc2ccnc(N3CCCC3)c2)c(C)c1.
What is the InChIKey of 2,4-dimethyl-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]benzenesulfonamide?
The InChIKey is PSFXRFINGASKDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2S/c1-14-5-6-17(15(2)11-14)24(22,23)20-13-16-7-8-19-18(12-16)21-9-3-4-10-21/h5-8,11-12,20H,3-4,9-10,13H2,1-2H3.
What are the key properties of 2,4-dimethyl-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]benzenesulfonamide?
2,4-dimethyl-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]benzenesulfonamide has a molecular weight of 345.47 g/mol, XLogP of 2.78, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]benzenesulfonamide is sourced from PubChem (CID 36583669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).