N-[5-(tert-butylamino)-2-pyridinyl]-2,5-dimethoxybenzenesulfonamide

C17H23N3O4S — CID 113030058

IUPACN-[5-(tert-butylamino)-2-pyridinyl]-2,5-dimethoxybenzenesulfonamide
SMILESCOc1ccc(OC)c(S(=O)(=O)Nc2ccc(NC(C)(C)C)cn2)c1
InChIInChI=1S/C17H23N3O4S/c1-17(2,3)19-12-6-9-16(18-11-12)20-25(21,22)15-10-13(23-4)7-8-14(15)24-5/h6-11,19H,1-5H3,(H,18,20)
InChIKeySEQXEGXKODWMLE-UHFFFAOYSA-N
MW365.46 g/mol
LogP3.11
Rot. Bonds6

About N-[5-(tert-butylamino)-2-pyridinyl]-2,5-dimethoxybenzenesulfonamide

N-[5-(tert-butylamino)-2-pyridinyl]-2,5-dimethoxybenzenesulfonamide (PubChem CID 113030058) has the molecular formula C17H23N3O4S and a molecular weight of 365.46 g/mol. Its IUPAC name is N-[5-(tert-butylamino)-2-pyridinyl]-2,5-dimethoxybenzenesulfonamide.

Molecular Properties

Compound NameN-[5-(tert-butylamino)-2-pyridinyl]-2,5-dimethoxybenzenesulfonamide
PubChem CID113030058
Molecular FormulaC17H23N3O4S
Molecular Weight365.46 g/mol
Exact Mass365.14
IUPAC NameN-[5-(tert-butylamino)-2-pyridinyl]-2,5-dimethoxybenzenesulfonamide
SMILESCOc1ccc(OC)c(S(=O)(=O)Nc2ccc(NC(C)(C)C)cn2)c1
InChIInChI=1S/C17H23N3O4S/c1-17(2,3)19-12-6-9-16(18-11-12)20-25(21,22)15-10-13(23-4)7-8-14(15)24-5/h6-11,19H,1-5H3,(H,18,20)
InChIKeySEQXEGXKODWMLE-UHFFFAOYSA-N
XLogP3.11
TPSA89.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.46
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2,4-dimethoxy-N-[5-(propylamino)-2-pyridinyl]benzenesulfonamide
CID 113023515
2,5-dimethoxy-N-[6-(2-methylanilino)-3-pyridinyl]benzenesulfonamide
CID 113016171
2,5-dimethoxy-N-pyrimidin-2-ylbenzenesulfonamide
CID 19683567
N-[5-(cyclopropylamino)-2-pyridinyl]-2,4-dimethoxybenzenesulfonamide
CID 113023785
2,5-dimethoxy-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide
CID 7342398
2,5-dimethoxy-N-[6-(N-methylanilino)-3-pyridinyl]benzenesulfonamide
CID 113016532
5-chloro-N-(5-chloro-2-pyridinyl)-2-methoxybenzenesulfonamide
CID 839351
N-(5-bromo-2-pyridinyl)-2,4-dimethoxybenzenesulfonamide
CID 19683207
2,5-dimethoxy-N'-[5-(trifluoromethyl)-2-pyridinyl]benzenesulfonohydrazide
CID 8505651
N-[5-(2,5-dimethylanilino)-2-pyridinyl]-2-methoxy-5-methylbenzenesulfonamide
CID 113032075
2,5-dimethoxy-N-[4-[(6-methylpyrimidin-4-yl)amino]phenyl]benzenesulfonamide
CID 108781559
N-(5-chloro-2-pyridinyl)-5-fluoro-2-methoxybenzenesulfonamide
CID 6473185

Frequently Asked Questions

What is the IUPAC name of N-[5-(tert-butylamino)-2-pyridinyl]-2,5-dimethoxybenzenesulfonamide?
The IUPAC name of N-[5-(tert-butylamino)-2-pyridinyl]-2,5-dimethoxybenzenesulfonamide (CID 113030058) is N-[5-(tert-butylamino)-2-pyridinyl]-2,5-dimethoxybenzenesulfonamide.
What is the SMILES notation for N-[5-(tert-butylamino)-2-pyridinyl]-2,5-dimethoxybenzenesulfonamide?
The canonical SMILES for N-[5-(tert-butylamino)-2-pyridinyl]-2,5-dimethoxybenzenesulfonamide is COc1ccc(OC)c(S(=O)(=O)Nc2ccc(NC(C)(C)C)cn2)c1.
What is the InChIKey of N-[5-(tert-butylamino)-2-pyridinyl]-2,5-dimethoxybenzenesulfonamide?
The InChIKey is SEQXEGXKODWMLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O4S/c1-17(2,3)19-12-6-9-16(18-11-12)20-25(21,22)15-10-13(23-4)7-8-14(15)24-5/h6-11,19H,1-5H3,(H,18,20).
What are the key properties of N-[5-(tert-butylamino)-2-pyridinyl]-2,5-dimethoxybenzenesulfonamide?
N-[5-(tert-butylamino)-2-pyridinyl]-2,5-dimethoxybenzenesulfonamide has a molecular weight of 365.46 g/mol, XLogP of 3.11, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(tert-butylamino)-2-pyridinyl]-2,5-dimethoxybenzenesulfonamide is sourced from PubChem (CID 113030058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).