2,5-dimethyl-N-[6-(propan-2-ylamino)-3-pyridinyl]benzenesulfonamide

C16H21N3O2S — CID 113009175

IUPAC2,5-dimethyl-N-[6-(propan-2-ylamino)-3-pyridinyl]benzenesulfonamide
SMILESCc1ccc(C)c(S(=O)(=O)Nc2ccc(NC(C)C)nc2)c1
InChIInChI=1S/C16H21N3O2S/c1-11(2)18-16-8-7-14(10-17-16)19-22(20,21)15-9-12(3)5-6-13(15)4/h5-11,19H,1-4H3,(H,17,18)
InChIKeyOXJWKHRBHXWVOZ-UHFFFAOYSA-N
MW319.43 g/mol
LogP3.32
Rot. Bonds5

About 2,5-dimethyl-N-[6-(propan-2-ylamino)-3-pyridinyl]benzenesulfonamide

2,5-dimethyl-N-[6-(propan-2-ylamino)-3-pyridinyl]benzenesulfonamide (PubChem CID 113009175) has the molecular formula C16H21N3O2S and a molecular weight of 319.43 g/mol. Its IUPAC name is 2,5-dimethyl-N-[6-(propan-2-ylamino)-3-pyridinyl]benzenesulfonamide.

Molecular Properties

Compound Name2,5-dimethyl-N-[6-(propan-2-ylamino)-3-pyridinyl]benzenesulfonamide
PubChem CID113009175
Molecular FormulaC16H21N3O2S
Molecular Weight319.43 g/mol
Exact Mass319.14
IUPAC Name2,5-dimethyl-N-[6-(propan-2-ylamino)-3-pyridinyl]benzenesulfonamide
SMILESCc1ccc(C)c(S(=O)(=O)Nc2ccc(NC(C)C)nc2)c1
InChIInChI=1S/C16H21N3O2S/c1-11(2)18-16-8-7-14(10-17-16)19-22(20,21)15-9-12(3)5-6-13(15)4/h5-11,19H,1-4H3,(H,17,18)
InChIKeyOXJWKHRBHXWVOZ-UHFFFAOYSA-N
XLogP3.32
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.43
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[6-(butan-2-ylamino)-3-pyridinyl]-2,5-dimethylbenzenesulfonamide
CID 113009793
2,5-dimethyl-N-[6-(1-phenylethylamino)-3-pyridinyl]benzenesulfonamide
CID 113011925
N-[6-[2-(cyclohexen-1-yl)ethylamino]-3-pyridinyl]-2,5-dimethylbenzenesulfonamide
CID 113010296
N-[5-(4-chloroanilino)-2-pyridinyl]-2,5-dimethylbenzenesulfonamide
CID 113033426
N-(5-chloro-2-pyridinyl)-2,5-dimethylbenzenesulfonamide
CID 8523459
N-(5-amino-2-pyridinyl)-2,5-dimethylbenzenesulfonamide
CID 43144676
N-(6-chloro-5-methyl-3-pyridinyl)-2,5-dimethylbenzenesulfonamide
CID 103744880
2,5-dimethyl-N-[5-(pyridin-2-ylmethylamino)-2-pyridinyl]benzenesulfonamide
CID 113027707
N-[5-(4-ethoxyanilino)-2-pyridinyl]-2,5-dimethylbenzenesulfonamide
CID 113034396
3,5-dimethyl-N-[6-(propan-2-ylamino)-3-pyridinyl]-1,2-oxazole-4-sulfonamide
CID 113009202
N-(6-imidazol-1-yl-3-pyridinyl)-2,5-dimethylbenzenesulfonamide
CID 56777957
2,5-dimethyl-N-[6-(N-methylanilino)-3-pyridinyl]benzenesulfonamide
CID 113016520

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N-[6-(propan-2-ylamino)-3-pyridinyl]benzenesulfonamide?
The IUPAC name of 2,5-dimethyl-N-[6-(propan-2-ylamino)-3-pyridinyl]benzenesulfonamide (CID 113009175) is 2,5-dimethyl-N-[6-(propan-2-ylamino)-3-pyridinyl]benzenesulfonamide.
What is the SMILES notation for 2,5-dimethyl-N-[6-(propan-2-ylamino)-3-pyridinyl]benzenesulfonamide?
The canonical SMILES for 2,5-dimethyl-N-[6-(propan-2-ylamino)-3-pyridinyl]benzenesulfonamide is Cc1ccc(C)c(S(=O)(=O)Nc2ccc(NC(C)C)nc2)c1.
What is the InChIKey of 2,5-dimethyl-N-[6-(propan-2-ylamino)-3-pyridinyl]benzenesulfonamide?
The InChIKey is OXJWKHRBHXWVOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2S/c1-11(2)18-16-8-7-14(10-17-16)19-22(20,21)15-9-12(3)5-6-13(15)4/h5-11,19H,1-4H3,(H,17,18).
What are the key properties of 2,5-dimethyl-N-[6-(propan-2-ylamino)-3-pyridinyl]benzenesulfonamide?
2,5-dimethyl-N-[6-(propan-2-ylamino)-3-pyridinyl]benzenesulfonamide has a molecular weight of 319.43 g/mol, XLogP of 3.32, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-N-[6-(propan-2-ylamino)-3-pyridinyl]benzenesulfonamide is sourced from PubChem (CID 113009175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).