3,4-dimethyl-N-(5-pyrrolidin-1-yl-2-pyridinyl)benzenesulfonamide

C17H21N3O2S — CID 113024384

IUPAC3,4-dimethyl-N-(5-pyrrolidin-1-yl-2-pyridinyl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(N3CCCC3)cn2)cc1C
InChIInChI=1S/C17H21N3O2S/c1-13-5-7-16(11-14(13)2)23(21,22)19-17-8-6-15(12-18-17)20-9-3-4-10-20/h5-8,11-12H,3-4,9-10H2,1-2H3,(H,18,19)
InChIKeyOWBAKKAZCQRJPL-UHFFFAOYSA-N
MW331.44 g/mol
LogP3.10
Rot. Bonds4

About 3,4-dimethyl-N-(5-pyrrolidin-1-yl-2-pyridinyl)benzenesulfonamide

3,4-dimethyl-N-(5-pyrrolidin-1-yl-2-pyridinyl)benzenesulfonamide (PubChem CID 113024384) has the molecular formula C17H21N3O2S and a molecular weight of 331.44 g/mol. Its IUPAC name is 3,4-dimethyl-N-(5-pyrrolidin-1-yl-2-pyridinyl)benzenesulfonamide.

Molecular Properties

Compound Name3,4-dimethyl-N-(5-pyrrolidin-1-yl-2-pyridinyl)benzenesulfonamide
PubChem CID113024384
Molecular FormulaC17H21N3O2S
Molecular Weight331.44 g/mol
Exact Mass331.14
IUPAC Name3,4-dimethyl-N-(5-pyrrolidin-1-yl-2-pyridinyl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(N3CCCC3)cn2)cc1C
InChIInChI=1S/C17H21N3O2S/c1-13-5-7-16(11-14(13)2)23(21,22)19-17-8-6-15(12-18-17)20-9-3-4-10-20/h5-8,11-12H,3-4,9-10H2,1-2H3,(H,18,19)
InChIKeyOWBAKKAZCQRJPL-UHFFFAOYSA-N
XLogP3.10
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.44
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-fluoro-3-methyl-N-(5-piperidin-1-yl-2-pyridinyl)benzenesulfonamide
CID 113024649
N-[5-(azepan-1-yl)-2-pyridinyl]-2-methoxy-4,5-dimethylbenzenesulfonamide
CID 113031119
4-methoxy-2,5-dimethyl-N-(5-pyrrolidin-1-yl-2-pyridinyl)benzenesulfonamide
CID 113024403
4-fluoro-3-methyl-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]benzenesulfonamide
CID 113025897
N-[5-(azepan-1-yl)-2-pyridinyl]-2,4,6-trimethylbenzenesulfonamide
CID 113031108
N-[5-(azepan-1-yl)-2-pyridinyl]-2-methoxy-5-methylbenzenesulfonamide
CID 113031113
N-[4-(azepan-1-yl)phenyl]-3,4-dimethylbenzenesulfonamide
CID 112985765
N-(2-methoxy-5-pyrrolidin-1-ylphenyl)-3,4-dimethylbenzenesulfonamide
CID 110362056
3-chloro-2-methyl-N-(5-piperidin-1-yl-2-pyridinyl)benzenesulfonamide
CID 68842273
2-(dimethylsulfamoylamino)-5-pyrrolidin-1-ylpyridine
CID 113024377
4-methyl-N-[5-(4-methylpiperidin-1-yl)-2-pyridinyl]benzenesulfonamide
CID 113024884
N-(5-cyano-2-pyridinyl)-3,4-dimethylbenzenesulfonamide
CID 62354753

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-N-(5-pyrrolidin-1-yl-2-pyridinyl)benzenesulfonamide?
The IUPAC name of 3,4-dimethyl-N-(5-pyrrolidin-1-yl-2-pyridinyl)benzenesulfonamide (CID 113024384) is 3,4-dimethyl-N-(5-pyrrolidin-1-yl-2-pyridinyl)benzenesulfonamide.
What is the SMILES notation for 3,4-dimethyl-N-(5-pyrrolidin-1-yl-2-pyridinyl)benzenesulfonamide?
The canonical SMILES for 3,4-dimethyl-N-(5-pyrrolidin-1-yl-2-pyridinyl)benzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2ccc(N3CCCC3)cn2)cc1C.
What is the InChIKey of 3,4-dimethyl-N-(5-pyrrolidin-1-yl-2-pyridinyl)benzenesulfonamide?
The InChIKey is OWBAKKAZCQRJPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2S/c1-13-5-7-16(11-14(13)2)23(21,22)19-17-8-6-15(12-18-17)20-9-3-4-10-20/h5-8,11-12H,3-4,9-10H2,1-2H3,(H,18,19).
What are the key properties of 3,4-dimethyl-N-(5-pyrrolidin-1-yl-2-pyridinyl)benzenesulfonamide?
3,4-dimethyl-N-(5-pyrrolidin-1-yl-2-pyridinyl)benzenesulfonamide has a molecular weight of 331.44 g/mol, XLogP of 3.10, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-N-(5-pyrrolidin-1-yl-2-pyridinyl)benzenesulfonamide is sourced from PubChem (CID 113024384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).