N-[5-(tert-butylamino)-2-pyridinyl]-3-methylbenzenesulfonamide

C16H21N3O2S — CID 113030068

IUPACN-[5-(tert-butylamino)-2-pyridinyl]-3-methylbenzenesulfonamide
SMILESCc1cccc(S(=O)(=O)Nc2ccc(NC(C)(C)C)cn2)c1
InChIInChI=1S/C16H21N3O2S/c1-12-6-5-7-14(10-12)22(20,21)19-15-9-8-13(11-17-15)18-16(2,3)4/h5-11,18H,1-4H3,(H,17,19)
InChIKeyKQCANQKUUXJLEV-UHFFFAOYSA-N
MW319.43 g/mol
LogP3.40
Rot. Bonds4

About N-[5-(tert-butylamino)-2-pyridinyl]-3-methylbenzenesulfonamide

N-[5-(tert-butylamino)-2-pyridinyl]-3-methylbenzenesulfonamide (PubChem CID 113030068) has the molecular formula C16H21N3O2S and a molecular weight of 319.43 g/mol. Its IUPAC name is N-[5-(tert-butylamino)-2-pyridinyl]-3-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[5-(tert-butylamino)-2-pyridinyl]-3-methylbenzenesulfonamide
PubChem CID113030068
Molecular FormulaC16H21N3O2S
Molecular Weight319.43 g/mol
Exact Mass319.14
IUPAC NameN-[5-(tert-butylamino)-2-pyridinyl]-3-methylbenzenesulfonamide
SMILESCc1cccc(S(=O)(=O)Nc2ccc(NC(C)(C)C)cn2)c1
InChIInChI=1S/C16H21N3O2S/c1-12-6-5-7-14(10-12)22(20,21)19-15-9-8-13(11-17-15)18-16(2,3)4/h5-11,18H,1-4H3,(H,17,19)
InChIKeyKQCANQKUUXJLEV-UHFFFAOYSA-N
XLogP3.40
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.43
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[5-(tert-butylamino)-2-pyridinyl]-3-methylbenzenesulfonamide 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

N-[5-(cyclopentylamino)-2-pyridinyl]-3-methylbenzenesulfonamide
CID 113024541
N-[5-(cycloheptylamino)-2-pyridinyl]-3-methylbenzenesulfonamide
CID 113030177
N-[6-(4-tert-butylanilino)-3-pyridinyl]-3-methylbenzenesulfonamide
CID 113018175
N-[5-[(2-fluorophenyl)methylamino]-2-pyridinyl]-3-methylbenzenesulfonamide
CID 113027064
3-methyl-N-[6-(pentylamino)-3-pyridinyl]benzenesulfonamide
CID 113015298
N-[5-(2-ethoxyanilino)-2-pyridinyl]-3-methylbenzenesulfonamide
CID 113034319
N-[5-[2-(3-methoxyphenyl)ethylamino]-2-pyridinyl]-3-methylbenzenesulfonamide
CID 113028450
N-[6-(2-ethoxyanilino)-3-pyridinyl]-3-methylbenzenesulfonamide
CID 113019654
3-methyl-N-[6-(4-methylanilino)pyridazin-3-yl]benzenesulfonamide
CID 113045894
N-[6-(3-methylanilino)-3-pyridinyl]benzenesulfonamide
CID 113016273
N-(2-ethoxypyrimidin-5-yl)-3-methylbenzenesulfonamide
CID 122301871
3-chloro-N-[6-(3-methylanilino)-3-pyridinyl]benzenesulfonamide
CID 113016313

Frequently Asked Questions

What is the IUPAC name of N-[5-(tert-butylamino)-2-pyridinyl]-3-methylbenzenesulfonamide?
The IUPAC name of N-[5-(tert-butylamino)-2-pyridinyl]-3-methylbenzenesulfonamide (CID 113030068) is N-[5-(tert-butylamino)-2-pyridinyl]-3-methylbenzenesulfonamide.
What is the SMILES notation for N-[5-(tert-butylamino)-2-pyridinyl]-3-methylbenzenesulfonamide?
The canonical SMILES for N-[5-(tert-butylamino)-2-pyridinyl]-3-methylbenzenesulfonamide is Cc1cccc(S(=O)(=O)Nc2ccc(NC(C)(C)C)cn2)c1.
What is the InChIKey of N-[5-(tert-butylamino)-2-pyridinyl]-3-methylbenzenesulfonamide?
The InChIKey is KQCANQKUUXJLEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2S/c1-12-6-5-7-14(10-12)22(20,21)19-15-9-8-13(11-17-15)18-16(2,3)4/h5-11,18H,1-4H3,(H,17,19).
What are the key properties of N-[5-(tert-butylamino)-2-pyridinyl]-3-methylbenzenesulfonamide?
N-[5-(tert-butylamino)-2-pyridinyl]-3-methylbenzenesulfonamide has a molecular weight of 319.43 g/mol, XLogP of 3.40, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(tert-butylamino)-2-pyridinyl]-3-methylbenzenesulfonamide is sourced from PubChem (CID 113030068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).