N-[5-(2-ethoxyanilino)-2-pyridinyl]methanesulfonamide

C14H17N3O3S — CID 113034304

IUPACN-[5-(2-ethoxyanilino)-2-pyridinyl]methanesulfonamide
SMILESCCOc1ccccc1Nc1ccc(NS(C)(=O)=O)nc1
InChIInChI=1S/C14H17N3O3S/c1-3-20-13-7-5-4-6-12(13)16-11-8-9-14(15-10-11)17-21(2,18)19/h4-10,16H,3H2,1-2H3,(H,15,17)
InChIKeyJKXVSJYMBFVHEL-UHFFFAOYSA-N
MW307.38 g/mol
LogP2.60
Rot. Bonds6

About N-[5-(2-ethoxyanilino)-2-pyridinyl]methanesulfonamide

N-[5-(2-ethoxyanilino)-2-pyridinyl]methanesulfonamide (PubChem CID 113034304) has the molecular formula C14H17N3O3S and a molecular weight of 307.38 g/mol. Its IUPAC name is N-[5-(2-ethoxyanilino)-2-pyridinyl]methanesulfonamide.

Molecular Properties

Compound NameN-[5-(2-ethoxyanilino)-2-pyridinyl]methanesulfonamide
PubChem CID113034304
Molecular FormulaC14H17N3O3S
Molecular Weight307.38 g/mol
Exact Mass307.10
IUPAC NameN-[5-(2-ethoxyanilino)-2-pyridinyl]methanesulfonamide
SMILESCCOc1ccccc1Nc1ccc(NS(C)(=O)=O)nc1
InChIInChI=1S/C14H17N3O3S/c1-3-20-13-7-5-4-6-12(13)16-11-8-9-14(15-10-11)17-21(2,18)19/h4-10,16H,3H2,1-2H3,(H,15,17)
InChIKeyJKXVSJYMBFVHEL-UHFFFAOYSA-N
XLogP2.60
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.38
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-(2-ethoxyanilino)-2-pyridinyl]-3-methylbenzenesulfonamide
CID 113034319
N-[5-(2-bromoanilino)-2-pyridinyl]methanesulfonamide
CID 113035997
N-[6-(2-ethoxyanilino)-3-pyridinyl]benzenesulfonamide
CID 113019644
N-[5-(2-ethoxyanilino)-2-pyridinyl]-2-phenoxyacetamide
CID 113034277
N-[5-(2,6-diethylanilino)-2-pyridinyl]methanesulfonamide
CID 113032862
4-chloro-N-[5-(2-ethoxyanilino)-2-pyridinyl]benzamide
CID 113034282
N-[6-(2-ethoxyanilino)-3-pyridinyl]-3-methylbenzenesulfonamide
CID 113019654
N-[6-(2-ethoxyanilino)pyridazin-3-yl]propane-1-sulfonamide
CID 113048434
2-chloro-N-[5-(2-methoxyanilino)-2-pyridinyl]benzenesulfonamide
CID 113034036
2-[4-(2-ethoxyanilino)anilino]phenol
CID 139619306
1-[6-(2-ethoxyanilino)-3-pyridinyl]-3-propan-2-ylurea
CID 113019637
2-chloro-N-(2-ethoxyphenyl)-5-(methanesulfonamido)benzamide
CID 28631283

Frequently Asked Questions

What is the IUPAC name of N-[5-(2-ethoxyanilino)-2-pyridinyl]methanesulfonamide?
The IUPAC name of N-[5-(2-ethoxyanilino)-2-pyridinyl]methanesulfonamide (CID 113034304) is N-[5-(2-ethoxyanilino)-2-pyridinyl]methanesulfonamide.
What is the SMILES notation for N-[5-(2-ethoxyanilino)-2-pyridinyl]methanesulfonamide?
The canonical SMILES for N-[5-(2-ethoxyanilino)-2-pyridinyl]methanesulfonamide is CCOc1ccccc1Nc1ccc(NS(C)(=O)=O)nc1.
What is the InChIKey of N-[5-(2-ethoxyanilino)-2-pyridinyl]methanesulfonamide?
The InChIKey is JKXVSJYMBFVHEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3S/c1-3-20-13-7-5-4-6-12(13)16-11-8-9-14(15-10-11)17-21(2,18)19/h4-10,16H,3H2,1-2H3,(H,15,17).
What are the key properties of N-[5-(2-ethoxyanilino)-2-pyridinyl]methanesulfonamide?
N-[5-(2-ethoxyanilino)-2-pyridinyl]methanesulfonamide has a molecular weight of 307.38 g/mol, XLogP of 2.60, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2-ethoxyanilino)-2-pyridinyl]methanesulfonamide is sourced from PubChem (CID 113034304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).