2-[[4-(2-methylphenyl)oxan-4-yl]methylamino]pyridine-3-sulfonamide

C18H23N3O3S — CID 139000509

IUPAC2-[[4-(2-methylphenyl)oxan-4-yl]methylamino]pyridine-3-sulfonamide
SMILESCc1ccccc1C1(CNc2ncccc2S(N)(=O)=O)CCOCC1
InChIInChI=1S/C18H23N3O3S/c1-14-5-2-3-6-15(14)18(8-11-24-12-9-18)13-21-17-16(25(19,22)23)7-4-10-20-17/h2-7,10H,8-9,11-13H2,1H3,(H,20,21)(H2,19,22,23)
InChIKeySTQAKRAFKXPRQF-UHFFFAOYSA-N
MW361.47 g/mol
LogP2.20
Rot. Bonds5

About 2-[[4-(2-methylphenyl)oxan-4-yl]methylamino]pyridine-3-sulfonamide

2-[[4-(2-methylphenyl)oxan-4-yl]methylamino]pyridine-3-sulfonamide (PubChem CID 139000509) has the molecular formula C18H23N3O3S and a molecular weight of 361.47 g/mol. Its IUPAC name is 2-[[4-(2-methylphenyl)oxan-4-yl]methylamino]pyridine-3-sulfonamide.

Molecular Properties

Compound Name2-[[4-(2-methylphenyl)oxan-4-yl]methylamino]pyridine-3-sulfonamide
PubChem CID139000509
Molecular FormulaC18H23N3O3S
Molecular Weight361.47 g/mol
Exact Mass361.15
IUPAC Name2-[[4-(2-methylphenyl)oxan-4-yl]methylamino]pyridine-3-sulfonamide
SMILESCc1ccccc1C1(CNc2ncccc2S(N)(=O)=O)CCOCC1
InChIInChI=1S/C18H23N3O3S/c1-14-5-2-3-6-15(14)18(8-11-24-12-9-18)13-21-17-16(25(19,22)23)7-4-10-20-17/h2-7,10H,8-9,11-13H2,1H3,(H,20,21)(H2,19,22,23)
InChIKeySTQAKRAFKXPRQF-UHFFFAOYSA-N
XLogP2.20
TPSA94.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.47
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[[4-(2-methylphenyl)oxan-4-yl]methylamino]pyridine-3-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-[[4-(4-ethoxyphenyl)oxan-4-yl]methylamino]pyridine-3-sulfonamide
CID 139000511
2-[[4-[3-(trifluoromethyl)phenyl]oxan-4-yl]methylamino]pyridine-3-sulfonamide
CID 139000508
N-methyl-6-[[4-(2-methylphenyl)oxan-4-yl]methylamino]pyridine-3-sulfonamide
CID 133298695
N-[[4-(2-methylphenyl)oxan-4-yl]methyl]thieno[2,3-d]pyrimidin-4-amine
CID 133272336
5-chloro-6-[[4-(2-methylphenyl)oxan-4-yl]methylamino]pyridine-3-carboxamide
CID 133272354
N-[[4-(2-methylphenyl)oxan-4-yl]methyl]acetamide
CID 47071133
3-amino-N-[[4-(2-methylphenyl)oxan-4-yl]methyl]butanamide
CID 119749830
2-chloro-N-[[4-(2-methylphenyl)oxan-4-yl]methyl]acetamide
CID 154856535
5-chloro-4-[[4-(2-methylphenyl)oxan-4-yl]methylamino]-1H-pyridazin-6-one
CID 133272314
1,3-dimethyl-N-[[4-(2-methylphenyl)oxan-4-yl]methyl]-4-nitropyrazol-5-amine
CID 71937496
3-amino-2-methyl-N-[[4-(2-methylphenyl)oxan-4-yl]methyl]-3-phenylpropanamide
CID 119749804
2-amino-2-(4-methylphenyl)-N-[[4-(2-methylphenyl)oxan-4-yl]methyl]acetamide;hydrochloride
CID 120667836

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(2-methylphenyl)oxan-4-yl]methylamino]pyridine-3-sulfonamide?
The IUPAC name of 2-[[4-(2-methylphenyl)oxan-4-yl]methylamino]pyridine-3-sulfonamide (CID 139000509) is 2-[[4-(2-methylphenyl)oxan-4-yl]methylamino]pyridine-3-sulfonamide.
What is the SMILES notation for 2-[[4-(2-methylphenyl)oxan-4-yl]methylamino]pyridine-3-sulfonamide?
The canonical SMILES for 2-[[4-(2-methylphenyl)oxan-4-yl]methylamino]pyridine-3-sulfonamide is Cc1ccccc1C1(CNc2ncccc2S(N)(=O)=O)CCOCC1.
What is the InChIKey of 2-[[4-(2-methylphenyl)oxan-4-yl]methylamino]pyridine-3-sulfonamide?
The InChIKey is STQAKRAFKXPRQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3S/c1-14-5-2-3-6-15(14)18(8-11-24-12-9-18)13-21-17-16(25(19,22)23)7-4-10-20-17/h2-7,10H,8-9,11-13H2,1H3,(H,20,21)(H2,19,22,23).
What are the key properties of 2-[[4-(2-methylphenyl)oxan-4-yl]methylamino]pyridine-3-sulfonamide?
2-[[4-(2-methylphenyl)oxan-4-yl]methylamino]pyridine-3-sulfonamide has a molecular weight of 361.47 g/mol, XLogP of 2.20, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(2-methylphenyl)oxan-4-yl]methylamino]pyridine-3-sulfonamide is sourced from PubChem (CID 139000509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).