N-[2-(2-methyl-1H-imidazol-5-yl)ethyl]thiophene-2-sulfonamide

C10H13N3O2S2 — CID 110666587

IUPACN-[2-(2-methyl-1H-imidazol-5-yl)ethyl]thiophene-2-sulfonamide
SMILESCc1ncc(CCNS(=O)(=O)c2cccs2)[nH]1
InChIInChI=1S/C10H13N3O2S2/c1-8-11-7-9(13-8)4-5-12-17(14,15)10-3-2-6-16-10/h2-3,6-7,12H,4-5H2,1H3,(H,11,13)
InChIKeyTXZRDZJKGDOQNJ-UHFFFAOYSA-N
MW271.37 g/mol
LogP1.30
Rot. Bonds5

About N-[2-(2-methyl-1H-imidazol-5-yl)ethyl]thiophene-2-sulfonamide

N-[2-(2-methyl-1H-imidazol-5-yl)ethyl]thiophene-2-sulfonamide (PubChem CID 110666587) has the molecular formula C10H13N3O2S2 and a molecular weight of 271.37 g/mol. Its IUPAC name is N-[2-(2-methyl-1H-imidazol-5-yl)ethyl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[2-(2-methyl-1H-imidazol-5-yl)ethyl]thiophene-2-sulfonamide
PubChem CID110666587
Molecular FormulaC10H13N3O2S2
Molecular Weight271.37 g/mol
Exact Mass271.04
IUPAC NameN-[2-(2-methyl-1H-imidazol-5-yl)ethyl]thiophene-2-sulfonamide
SMILESCc1ncc(CCNS(=O)(=O)c2cccs2)[nH]1
InChIInChI=1S/C10H13N3O2S2/c1-8-11-7-9(13-8)4-5-12-17(14,15)10-3-2-6-16-10/h2-3,6-7,12H,4-5H2,1H3,(H,11,13)
InChIKeyTXZRDZJKGDOQNJ-UHFFFAOYSA-N
XLogP1.30
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.37
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3,4-dimethyl-N-[2-(2-methyl-1H-imidazol-5-yl)ethyl]benzenesulfonamide
CID 110666567
4-chloro-N-[2-(2-methyl-1H-imidazol-5-yl)ethyl]benzenesulfonamide
CID 110666564
2,5-dimethyl-N-[2-(2-methyl-1H-imidazol-5-yl)ethyl]benzenesulfonamide
CID 110666569
N-[2-(2-hydroxyphenyl)ethyl]thiophene-2-sulfonamide
CID 110605316
N-[2-(methylamino)ethyl]thiophene-2-sulfonamide
CID 62658549
N-[2-(1,3-oxazol-4-yl)ethyl]thiophene-2-sulfonamide
CID 110722045
N-[2-(3,4-dichlorophenyl)ethyl]thiophene-2-sulfonamide
CID 3810708
N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]thiophene-2-sulfonamide
CID 110646333
3-acetyl-N-[2-(2-methyl-1H-imidazol-5-yl)ethyl]benzenesulfonamide
CID 110666629
N-[2-(2,5-dimethoxy-4-methylphenyl)ethyl]thiophene-2-sulfonamide
CID 110789678
N-(2-ethoxyethyl)thiophene-2-sulfonamide
CID 3855268
N-pentylthiophene-2-sulfonamide
CID 5150701

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methyl-1H-imidazol-5-yl)ethyl]thiophene-2-sulfonamide?
The IUPAC name of N-[2-(2-methyl-1H-imidazol-5-yl)ethyl]thiophene-2-sulfonamide (CID 110666587) is N-[2-(2-methyl-1H-imidazol-5-yl)ethyl]thiophene-2-sulfonamide.
What is the SMILES notation for N-[2-(2-methyl-1H-imidazol-5-yl)ethyl]thiophene-2-sulfonamide?
The canonical SMILES for N-[2-(2-methyl-1H-imidazol-5-yl)ethyl]thiophene-2-sulfonamide is Cc1ncc(CCNS(=O)(=O)c2cccs2)[nH]1.
What is the InChIKey of N-[2-(2-methyl-1H-imidazol-5-yl)ethyl]thiophene-2-sulfonamide?
The InChIKey is TXZRDZJKGDOQNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O2S2/c1-8-11-7-9(13-8)4-5-12-17(14,15)10-3-2-6-16-10/h2-3,6-7,12H,4-5H2,1H3,(H,11,13).
What are the key properties of N-[2-(2-methyl-1H-imidazol-5-yl)ethyl]thiophene-2-sulfonamide?
N-[2-(2-methyl-1H-imidazol-5-yl)ethyl]thiophene-2-sulfonamide has a molecular weight of 271.37 g/mol, XLogP of 1.30, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methyl-1H-imidazol-5-yl)ethyl]thiophene-2-sulfonamide is sourced from PubChem (CID 110666587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).