N-[6-[2-(dimethylamino)ethylamino]-3-pyridinyl]-2,4-dimethoxybenzenesulfonamide

C17H24N4O4S — CID 113010801

IUPACN-[6-[2-(dimethylamino)ethylamino]-3-pyridinyl]-2,4-dimethoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccc(NCCN(C)C)nc2)c(OC)c1
InChIInChI=1S/C17H24N4O4S/c1-21(2)10-9-18-17-8-5-13(12-19-17)20-26(22,23)16-7-6-14(24-3)11-15(16)25-4/h5-8,11-12,20H,9-10H2,1-4H3,(H,18,19)
InChIKeyCNAOZARHVHHLNP-UHFFFAOYSA-N
MW380.47 g/mol
LogP1.87
Rot. Bonds9

About N-[6-[2-(dimethylamino)ethylamino]-3-pyridinyl]-2,4-dimethoxybenzenesulfonamide

N-[6-[2-(dimethylamino)ethylamino]-3-pyridinyl]-2,4-dimethoxybenzenesulfonamide (PubChem CID 113010801) has the molecular formula C17H24N4O4S and a molecular weight of 380.47 g/mol. Its IUPAC name is N-[6-[2-(dimethylamino)ethylamino]-3-pyridinyl]-2,4-dimethoxybenzenesulfonamide.

Molecular Properties

Compound NameN-[6-[2-(dimethylamino)ethylamino]-3-pyridinyl]-2,4-dimethoxybenzenesulfonamide
PubChem CID113010801
Molecular FormulaC17H24N4O4S
Molecular Weight380.47 g/mol
Exact Mass380.15
IUPAC NameN-[6-[2-(dimethylamino)ethylamino]-3-pyridinyl]-2,4-dimethoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccc(NCCN(C)C)nc2)c(OC)c1
InChIInChI=1S/C17H24N4O4S/c1-21(2)10-9-18-17-8-5-13(12-19-17)20-26(22,23)16-7-6-14(24-3)11-15(16)25-4/h5-8,11-12,20H,9-10H2,1-4H3,(H,18,19)
InChIKeyCNAOZARHVHHLNP-UHFFFAOYSA-N
XLogP1.87
TPSA92.79 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.47
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2,4-dimethoxy-N-[5-(propylamino)-2-pyridinyl]benzenesulfonamide
CID 113023515
3-chloro-N-[6-[2-(dimethylamino)ethylamino]-3-pyridinyl]-4-methoxybenzenesulfonamide
CID 113010810
N-(6-bromo-3-pyridinyl)-2,4-dimethoxybenzenesulfonamide
CID 110605160
N-[6-[3-(dimethylamino)propylamino]-3-pyridinyl]-3,4-dimethylbenzenesulfonamide
CID 113010999
N-[6-(cyclohexylamino)-3-pyridinyl]-2,4-dimethoxybenzenesulfonamide
CID 113010132
N-[4-[2-(dimethylamino)ethylamino]phenyl]-2,5-dimethoxybenzenesulfonamide
CID 112981378
4-methoxy-N-[6-(2-methoxyethylamino)-3-pyridinyl]-2-methylbenzenesulfonamide
CID 113010409
N-[5-(cyclopropylamino)-2-pyridinyl]-2,4-dimethoxybenzenesulfonamide
CID 113023785
2,4-dimethoxy-N-(4-methoxyphenyl)benzenesulfonamide
CID 22774026
N-(2-ethoxypyrimidin-5-yl)-2,4-dimethoxybenzenesulfonamide
CID 122302182
N-(5-bromo-2-pyridinyl)-2,4-dimethoxybenzenesulfonamide
CID 19683207
N-[5-[3-(dimethylamino)propylamino]-2-pyridinyl]-4-methoxy-2,5-dimethylbenzenesulfonamide
CID 113025801

Frequently Asked Questions

What is the IUPAC name of N-[6-[2-(dimethylamino)ethylamino]-3-pyridinyl]-2,4-dimethoxybenzenesulfonamide?
The IUPAC name of N-[6-[2-(dimethylamino)ethylamino]-3-pyridinyl]-2,4-dimethoxybenzenesulfonamide (CID 113010801) is N-[6-[2-(dimethylamino)ethylamino]-3-pyridinyl]-2,4-dimethoxybenzenesulfonamide.
What is the SMILES notation for N-[6-[2-(dimethylamino)ethylamino]-3-pyridinyl]-2,4-dimethoxybenzenesulfonamide?
The canonical SMILES for N-[6-[2-(dimethylamino)ethylamino]-3-pyridinyl]-2,4-dimethoxybenzenesulfonamide is COc1ccc(S(=O)(=O)Nc2ccc(NCCN(C)C)nc2)c(OC)c1.
What is the InChIKey of N-[6-[2-(dimethylamino)ethylamino]-3-pyridinyl]-2,4-dimethoxybenzenesulfonamide?
The InChIKey is CNAOZARHVHHLNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O4S/c1-21(2)10-9-18-17-8-5-13(12-19-17)20-26(22,23)16-7-6-14(24-3)11-15(16)25-4/h5-8,11-12,20H,9-10H2,1-4H3,(H,18,19).
What are the key properties of N-[6-[2-(dimethylamino)ethylamino]-3-pyridinyl]-2,4-dimethoxybenzenesulfonamide?
N-[6-[2-(dimethylamino)ethylamino]-3-pyridinyl]-2,4-dimethoxybenzenesulfonamide has a molecular weight of 380.47 g/mol, XLogP of 1.87, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[2-(dimethylamino)ethylamino]-3-pyridinyl]-2,4-dimethoxybenzenesulfonamide is sourced from PubChem (CID 113010801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).