N-[2-(1-methylimidazol-2-yl)ethyl]-2,3-dihydro-1H-isoindole-5-sulfonamide

C14H18N4O2S — CID 107422069

IUPACN-[2-(1-methylimidazol-2-yl)ethyl]-2,3-dihydro-1H-isoindole-5-sulfonamide
SMILESCn1ccnc1CCNS(=O)(=O)c1ccc2c(c1)CNC2
InChIInChI=1S/C14H18N4O2S/c1-18-7-6-16-14(18)4-5-17-21(19,20)13-3-2-11-9-15-10-12(11)8-13/h2-3,6-8,15,17H,4-5,9-10H2,1H3
InChIKeyHVXDJLDLZBCUDM-UHFFFAOYSA-N
MW306.39 g/mol
LogP0.54
Rot. Bonds5

About N-[2-(1-methylimidazol-2-yl)ethyl]-2,3-dihydro-1H-isoindole-5-sulfonamide

N-[2-(1-methylimidazol-2-yl)ethyl]-2,3-dihydro-1H-isoindole-5-sulfonamide (PubChem CID 107422069) has the molecular formula C14H18N4O2S and a molecular weight of 306.39 g/mol. Its IUPAC name is N-[2-(1-methylimidazol-2-yl)ethyl]-2,3-dihydro-1H-isoindole-5-sulfonamide.

Molecular Properties

Compound NameN-[2-(1-methylimidazol-2-yl)ethyl]-2,3-dihydro-1H-isoindole-5-sulfonamide
PubChem CID107422069
Molecular FormulaC14H18N4O2S
Molecular Weight306.39 g/mol
Exact Mass306.12
IUPAC NameN-[2-(1-methylimidazol-2-yl)ethyl]-2,3-dihydro-1H-isoindole-5-sulfonamide
SMILESCn1ccnc1CCNS(=O)(=O)c1ccc2c(c1)CNC2
InChIInChI=1S/C14H18N4O2S/c1-18-7-6-16-14(18)4-5-17-21(19,20)13-3-2-11-9-15-10-12(11)8-13/h2-3,6-8,15,17H,4-5,9-10H2,1H3
InChIKeyHVXDJLDLZBCUDM-UHFFFAOYSA-N
XLogP0.54
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[2-(1-methylimidazol-2-yl)ethyl]-2,3-dihydro-1H-isoindole-5-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-fluoro-N-[2-(1-methylimidazol-2-yl)ethyl]benzenesulfonamide
CID 61218136
6-(methylamino)-N-[2-(1-methylimidazol-2-yl)ethyl]pyridine-3-sulfonamide
CID 62158342
N-propyl-2,3-dihydro-1H-isoindole-5-sulfonamide
CID 107421701
4-cyano-3-methyl-N-[2-(1-methylimidazol-2-yl)ethyl]benzenesulfonamide
CID 106833177
N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-2,3-dihydro-1H-isoindole-5-sulfonamide
CID 107422086
N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-2,3-dihydro-1H-isoindole-5-sulfonamide
CID 106419919
5,6-dichloro-N-[2-(1-methylimidazol-2-yl)ethyl]pyridine-3-sulfonamide
CID 64608216
N-hexyl-2,3-dihydro-1H-isoindole-5-sulfonamide
CID 107422191
3-amino-4,5-dimethyl-N-[2-(1-methylimidazol-2-yl)ethyl]benzenesulfonamide
CID 61214726
N-[2-[1-(2,2,2-trifluoroethyl)imidazol-2-yl]ethyl]-1,3-dihydro-2-benzofuran-5-sulfonamide
CID 86812920
N-(pyridin-4-ylmethyl)-2,3-dihydro-1H-isoindole-5-sulfonamide
CID 107421821
2-amino-4-methyl-N-[2-(1-methylimidazol-2-yl)ethyl]benzenesulfonamide
CID 61214867

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-methylimidazol-2-yl)ethyl]-2,3-dihydro-1H-isoindole-5-sulfonamide?
The IUPAC name of N-[2-(1-methylimidazol-2-yl)ethyl]-2,3-dihydro-1H-isoindole-5-sulfonamide (CID 107422069) is N-[2-(1-methylimidazol-2-yl)ethyl]-2,3-dihydro-1H-isoindole-5-sulfonamide.
What is the SMILES notation for N-[2-(1-methylimidazol-2-yl)ethyl]-2,3-dihydro-1H-isoindole-5-sulfonamide?
The canonical SMILES for N-[2-(1-methylimidazol-2-yl)ethyl]-2,3-dihydro-1H-isoindole-5-sulfonamide is Cn1ccnc1CCNS(=O)(=O)c1ccc2c(c1)CNC2.
What is the InChIKey of N-[2-(1-methylimidazol-2-yl)ethyl]-2,3-dihydro-1H-isoindole-5-sulfonamide?
The InChIKey is HVXDJLDLZBCUDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2S/c1-18-7-6-16-14(18)4-5-17-21(19,20)13-3-2-11-9-15-10-12(11)8-13/h2-3,6-8,15,17H,4-5,9-10H2,1H3.
What are the key properties of N-[2-(1-methylimidazol-2-yl)ethyl]-2,3-dihydro-1H-isoindole-5-sulfonamide?
N-[2-(1-methylimidazol-2-yl)ethyl]-2,3-dihydro-1H-isoindole-5-sulfonamide has a molecular weight of 306.39 g/mol, XLogP of 0.54, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-methylimidazol-2-yl)ethyl]-2,3-dihydro-1H-isoindole-5-sulfonamide is sourced from PubChem (CID 107422069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).