N-[(R)-(3,5-dimethylphenyl)-pyridin-3-ylmethyl]-3-fluoropropane-1-sulfonamide

C17H21FN2O2S — CID 96529707

IUPACN-[(R)-(3,5-dimethylphenyl)-pyridin-3-ylmethyl]-3-fluoropropane-1-sulfonamide
SMILESCc1cc(C)cc([C@@H](NS(=O)(=O)CCCF)c2cccnc2)c1
InChIInChI=1S/C17H21FN2O2S/c1-13-9-14(2)11-16(10-13)17(15-5-3-7-19-12-15)20-23(21,22)8-4-6-18/h3,5,7,9-12,17,20H,4,6,8H2,1-2H3/t17-/m0/s1
InChIKeyMYSSSJJMLLOLMI-KRWDZBQOSA-N
MW336.43 g/mol
LogP3.07
Rot. Bonds7

About N-[(R)-(3,5-dimethylphenyl)-pyridin-3-ylmethyl]-3-fluoropropane-1-sulfonamide

N-[(R)-(3,5-dimethylphenyl)-pyridin-3-ylmethyl]-3-fluoropropane-1-sulfonamide (PubChem CID 96529707) has the molecular formula C17H21FN2O2S and a molecular weight of 336.43 g/mol. Its IUPAC name is N-[(R)-(3,5-dimethylphenyl)-pyridin-3-ylmethyl]-3-fluoropropane-1-sulfonamide.

Molecular Properties

Compound NameN-[(R)-(3,5-dimethylphenyl)-pyridin-3-ylmethyl]-3-fluoropropane-1-sulfonamide
PubChem CID96529707
Molecular FormulaC17H21FN2O2S
Molecular Weight336.43 g/mol
Exact Mass336.13
IUPAC NameN-[(R)-(3,5-dimethylphenyl)-pyridin-3-ylmethyl]-3-fluoropropane-1-sulfonamide
SMILESCc1cc(C)cc([C@@H](NS(=O)(=O)CCCF)c2cccnc2)c1
InChIInChI=1S/C17H21FN2O2S/c1-13-9-14(2)11-16(10-13)17(15-5-3-7-19-12-15)20-23(21,22)8-4-6-18/h3,5,7,9-12,17,20H,4,6,8H2,1-2H3/t17-/m0/s1
InChIKeyMYSSSJJMLLOLMI-KRWDZBQOSA-N
XLogP3.07
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.43
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(R)-(3,5-dimethylphenyl)-pyridin-3-ylmethyl]-3-fluoropropane-1-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(propan-2-ylamino)-N-(1-pyridin-3-ylethyl)ethanesulfonamide
CID 54972222
2-chloro-N-[(1S)-1-pyridin-3-ylethyl]ethanesulfonamide
CID 107858694
2-hydroxy-N-(1-pyridin-3-ylethyl)ethanesulfonamide
CID 79588957
N-methyl-2-(1-pyridin-3-ylethylamino)ethanesulfonamide
CID 102676086
N-[(S)-(3,5-dimethylphenyl)-pyridin-3-ylmethyl]-N-ethylmethanesulfonamide
CID 96563370
N-methyl-1-(5-methyl-3-pyridinyl)-1-pyridin-3-ylmethanamine
CID 115374295
N-[(3,5-dimethylphenyl)-pyridin-3-ylmethyl]-6-methoxypyridazine-3-carboxamide
CID 84584365
2-(4-methylphenoxy)-N-(3-methyl-1-pyridin-3-ylbutyl)ethanesulfonamide
CID 131902634
3-chloro-N-[(1R)-1-(3-methylphenyl)ethyl]propane-1-sulfonamide
CID 107858598
(2S)-2-(cyclopropylmethoxy)-N-[(R)-(3,5-dimethylphenyl)-pyridin-3-ylmethyl]propanamide
CID 95305125
N-[(2R)-2-(4-methylphenyl)sulfonyl-2-pyridin-3-ylethyl]butane-1-sulfonamide
CID 9154520
N-[(2R)-2-(2,5-dimethylphenyl)sulfonyl-2-pyridin-3-ylethyl]butane-1-sulfonamide
CID 9158307

Frequently Asked Questions

What is the IUPAC name of N-[(R)-(3,5-dimethylphenyl)-pyridin-3-ylmethyl]-3-fluoropropane-1-sulfonamide?
The IUPAC name of N-[(R)-(3,5-dimethylphenyl)-pyridin-3-ylmethyl]-3-fluoropropane-1-sulfonamide (CID 96529707) is N-[(R)-(3,5-dimethylphenyl)-pyridin-3-ylmethyl]-3-fluoropropane-1-sulfonamide.
What is the SMILES notation for N-[(R)-(3,5-dimethylphenyl)-pyridin-3-ylmethyl]-3-fluoropropane-1-sulfonamide?
The canonical SMILES for N-[(R)-(3,5-dimethylphenyl)-pyridin-3-ylmethyl]-3-fluoropropane-1-sulfonamide is Cc1cc(C)cc([C@@H](NS(=O)(=O)CCCF)c2cccnc2)c1.
What is the InChIKey of N-[(R)-(3,5-dimethylphenyl)-pyridin-3-ylmethyl]-3-fluoropropane-1-sulfonamide?
The InChIKey is MYSSSJJMLLOLMI-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H21FN2O2S/c1-13-9-14(2)11-16(10-13)17(15-5-3-7-19-12-15)20-23(21,22)8-4-6-18/h3,5,7,9-12,17,20H,4,6,8H2,1-2H3/t17-/m0/s1.
What are the key properties of N-[(R)-(3,5-dimethylphenyl)-pyridin-3-ylmethyl]-3-fluoropropane-1-sulfonamide?
N-[(R)-(3,5-dimethylphenyl)-pyridin-3-ylmethyl]-3-fluoropropane-1-sulfonamide has a molecular weight of 336.43 g/mol, XLogP of 3.07, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(R)-(3,5-dimethylphenyl)-pyridin-3-ylmethyl]-3-fluoropropane-1-sulfonamide is sourced from PubChem (CID 96529707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).