N-[(2-methoxy-4-pyridinyl)methyl]-5-(methylaminomethyl)-1H-pyrrole-3-sulfonamide

C13H18N4O3S — CID 106062049

IUPACN-[(2-methoxy-4-pyridinyl)methyl]-5-(methylaminomethyl)-1H-pyrrole-3-sulfonamide
SMILESCNCc1cc(S(=O)(=O)NCc2ccnc(OC)c2)c[nH]1
InChIInChI=1S/C13H18N4O3S/c1-14-8-11-6-12(9-16-11)21(18,19)17-7-10-3-4-15-13(5-10)20-2/h3-6,9,14,16-17H,7-8H2,1-2H3
InChIKeyKBNJBBZPMZHOBS-UHFFFAOYSA-N
MW310.38 g/mol
LogP0.62
Rot. Bonds7

About N-[(2-methoxy-4-pyridinyl)methyl]-5-(methylaminomethyl)-1H-pyrrole-3-sulfonamide

N-[(2-methoxy-4-pyridinyl)methyl]-5-(methylaminomethyl)-1H-pyrrole-3-sulfonamide (PubChem CID 106062049) has the molecular formula C13H18N4O3S and a molecular weight of 310.38 g/mol. Its IUPAC name is N-[(2-methoxy-4-pyridinyl)methyl]-5-(methylaminomethyl)-1H-pyrrole-3-sulfonamide.

Molecular Properties

Compound NameN-[(2-methoxy-4-pyridinyl)methyl]-5-(methylaminomethyl)-1H-pyrrole-3-sulfonamide
PubChem CID106062049
Molecular FormulaC13H18N4O3S
Molecular Weight310.38 g/mol
Exact Mass310.11
IUPAC NameN-[(2-methoxy-4-pyridinyl)methyl]-5-(methylaminomethyl)-1H-pyrrole-3-sulfonamide
SMILESCNCc1cc(S(=O)(=O)NCc2ccnc(OC)c2)c[nH]1
InChIInChI=1S/C13H18N4O3S/c1-14-8-11-6-12(9-16-11)21(18,19)17-7-10-3-4-15-13(5-10)20-2/h3-6,9,14,16-17H,7-8H2,1-2H3
InChIKeyKBNJBBZPMZHOBS-UHFFFAOYSA-N
XLogP0.62
TPSA96.11 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.38
LogP ≤ 50.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2-methoxy-4-pyridinyl)methyl]-2-(methylamino)pyrimidine-5-sulfonamide
CID 62990758
N-[(2-methoxy-4-pyridinyl)methyl]-6-(methylamino)pyridine-3-sulfonamide
CID 62989683
2-amino-N-[(2-methoxy-4-pyridinyl)methyl]pyridine-4-sulfonamide
CID 62991116
N-[(2-methoxy-4-pyridinyl)methyl]-3-methylsulfonylbenzenesulfonamide
CID 55559063
N-[(2-methoxy-4-pyridinyl)methyl]-5-(methylaminomethyl)thiophene-2-sulfonamide
CID 106062054
1-(2-methoxy-4-pyridinyl)-N-methylmethanamine;hydrochloride
CID 154963549
3-chloro-N-[(2-methoxy-4-pyridinyl)methyl]-4-methylbenzenesulfonamide
CID 39630547
4-(2,5-dioxopyrrolidin-1-yl)-N-[(2-methoxy-4-pyridinyl)methyl]benzenesulfonamide
CID 146022846
N-(cyclobutylmethyl)-5-(methylaminomethyl)-1H-pyrrole-3-sulfonamide
CID 106024324
4-(2,4-dichlorophenyl)-N-[(2-methoxy-4-pyridinyl)methyl]benzenesulfonamide
CID 58108466
5-ethyl-N-[(2-methoxy-4-pyridinyl)methyl]thiophene-2-sulfonamide
CID 87032101
5-bromo-N-[(2-methoxy-4-pyridinyl)methyl]-2-methylbenzenesulfonamide
CID 36582613

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxy-4-pyridinyl)methyl]-5-(methylaminomethyl)-1H-pyrrole-3-sulfonamide?
The IUPAC name of N-[(2-methoxy-4-pyridinyl)methyl]-5-(methylaminomethyl)-1H-pyrrole-3-sulfonamide (CID 106062049) is N-[(2-methoxy-4-pyridinyl)methyl]-5-(methylaminomethyl)-1H-pyrrole-3-sulfonamide.
What is the SMILES notation for N-[(2-methoxy-4-pyridinyl)methyl]-5-(methylaminomethyl)-1H-pyrrole-3-sulfonamide?
The canonical SMILES for N-[(2-methoxy-4-pyridinyl)methyl]-5-(methylaminomethyl)-1H-pyrrole-3-sulfonamide is CNCc1cc(S(=O)(=O)NCc2ccnc(OC)c2)c[nH]1.
What is the InChIKey of N-[(2-methoxy-4-pyridinyl)methyl]-5-(methylaminomethyl)-1H-pyrrole-3-sulfonamide?
The InChIKey is KBNJBBZPMZHOBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O3S/c1-14-8-11-6-12(9-16-11)21(18,19)17-7-10-3-4-15-13(5-10)20-2/h3-6,9,14,16-17H,7-8H2,1-2H3.
What are the key properties of N-[(2-methoxy-4-pyridinyl)methyl]-5-(methylaminomethyl)-1H-pyrrole-3-sulfonamide?
N-[(2-methoxy-4-pyridinyl)methyl]-5-(methylaminomethyl)-1H-pyrrole-3-sulfonamide has a molecular weight of 310.38 g/mol, XLogP of 0.62, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxy-4-pyridinyl)methyl]-5-(methylaminomethyl)-1H-pyrrole-3-sulfonamide is sourced from PubChem (CID 106062049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).