N-[4-(4-hydroxybut-1-ynyl)-2-pyridinyl]-1-methylimidazole-4-sulfonamide

C13H14N4O3S — CID 102821699

IUPACN-[4-(4-hydroxybut-1-ynyl)-2-pyridinyl]-1-methylimidazole-4-sulfonamide
SMILESCn1cnc(S(=O)(=O)Nc2cc(C#CCCO)ccn2)c1
InChIInChI=1S/C13H14N4O3S/c1-17-9-13(15-10-17)21(19,20)16-12-8-11(5-6-14-12)4-2-3-7-18/h5-6,8-10,18H,3,7H2,1H3,(H,14,16)
InChIKeyGHZVUANJCHZXCH-UHFFFAOYSA-N
MW306.35 g/mol
LogP0.35
Rot. Bonds4

About N-[4-(4-hydroxybut-1-ynyl)-2-pyridinyl]-1-methylimidazole-4-sulfonamide

N-[4-(4-hydroxybut-1-ynyl)-2-pyridinyl]-1-methylimidazole-4-sulfonamide (PubChem CID 102821699) has the molecular formula C13H14N4O3S and a molecular weight of 306.35 g/mol. Its IUPAC name is N-[4-(4-hydroxybut-1-ynyl)-2-pyridinyl]-1-methylimidazole-4-sulfonamide.

Molecular Properties

Compound NameN-[4-(4-hydroxybut-1-ynyl)-2-pyridinyl]-1-methylimidazole-4-sulfonamide
PubChem CID102821699
Molecular FormulaC13H14N4O3S
Molecular Weight306.35 g/mol
Exact Mass306.08
IUPAC NameN-[4-(4-hydroxybut-1-ynyl)-2-pyridinyl]-1-methylimidazole-4-sulfonamide
SMILESCn1cnc(S(=O)(=O)Nc2cc(C#CCCO)ccn2)c1
InChIInChI=1S/C13H14N4O3S/c1-17-9-13(15-10-17)21(19,20)16-12-8-11(5-6-14-12)4-2-3-7-18/h5-6,8-10,18H,3,7H2,1H3,(H,14,16)
InChIKeyGHZVUANJCHZXCH-UHFFFAOYSA-N
XLogP0.35
TPSA97.11 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.35
LogP ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze N-[4-(4-hydroxybut-1-ynyl)-2-pyridinyl]-1-methylimidazole-4-sulfonamide 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

4-[2-(methylsulfamoylamino)-4-pyridinyl]but-3-yn-1-ol
CID 102821691
N-[4-(4-hydroxybut-1-ynyl)-2-pyridinyl]ethanesulfonamide
CID 102821679
2-(diethylsulfamoylamino)-4-(4-hydroxybut-1-ynyl)pyridine
CID 102821702
N-[4-(3-hydroxyprop-1-ynyl)phenyl]-1-methylimidazole-4-sulfonamide
CID 62374305
N-[4-(4-hydroxybut-1-ynyl)-2-pyridinyl]-2-methylsulfanylacetamide
CID 102821240
4-chloro-N-[4-(4-hydroxybut-1-ynyl)-2-pyridinyl]-1-methylpyrrole-2-carboxamide
CID 102821179
N-[4-(3-hydroxyprop-1-ynyl)-3-methylphenyl]-1-methylimidazole-4-sulfonamide
CID 62374468
3-[2-(ethylsulfamoylamino)-4-pyridinyl]prop-2-yn-1-ol
CID 102821654
2-ethoxy-N-[4-(4-hydroxybut-1-ynyl)-2-pyridinyl]acetamide
CID 102821194
6-[(1-methylimidazol-4-yl)sulfonylamino]pyridine-2-carboxylic acid
CID 55249907
N-[4-(4-hydroxybut-1-ynyl)-2-pyridinyl]-4-methyl-1,3-oxazole-5-carboxamide
CID 102821209
N-[3-(3-aminoprop-1-ynyl)-4-fluorophenyl]-1-methylimidazole-4-sulfonamide
CID 104781031

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-hydroxybut-1-ynyl)-2-pyridinyl]-1-methylimidazole-4-sulfonamide?
The IUPAC name of N-[4-(4-hydroxybut-1-ynyl)-2-pyridinyl]-1-methylimidazole-4-sulfonamide (CID 102821699) is N-[4-(4-hydroxybut-1-ynyl)-2-pyridinyl]-1-methylimidazole-4-sulfonamide.
What is the SMILES notation for N-[4-(4-hydroxybut-1-ynyl)-2-pyridinyl]-1-methylimidazole-4-sulfonamide?
The canonical SMILES for N-[4-(4-hydroxybut-1-ynyl)-2-pyridinyl]-1-methylimidazole-4-sulfonamide is Cn1cnc(S(=O)(=O)Nc2cc(C#CCCO)ccn2)c1.
What is the InChIKey of N-[4-(4-hydroxybut-1-ynyl)-2-pyridinyl]-1-methylimidazole-4-sulfonamide?
The InChIKey is GHZVUANJCHZXCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O3S/c1-17-9-13(15-10-17)21(19,20)16-12-8-11(5-6-14-12)4-2-3-7-18/h5-6,8-10,18H,3,7H2,1H3,(H,14,16).
What are the key properties of N-[4-(4-hydroxybut-1-ynyl)-2-pyridinyl]-1-methylimidazole-4-sulfonamide?
N-[4-(4-hydroxybut-1-ynyl)-2-pyridinyl]-1-methylimidazole-4-sulfonamide has a molecular weight of 306.35 g/mol, XLogP of 0.35, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-hydroxybut-1-ynyl)-2-pyridinyl]-1-methylimidazole-4-sulfonamide is sourced from PubChem (CID 102821699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).