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

C9H13N5O2S — CID 65231692

IUPACN-[2-(1H-imidazol-5-yl)ethyl]-2-methyl-1H-imidazole-5-sulfonamide
SMILESCc1ncc(S(=O)(=O)NCCc2cnc[nH]2)[nH]1
InChIInChI=1S/C9H13N5O2S/c1-7-11-5-9(14-7)17(15,16)13-3-2-8-4-10-6-12-8/h4-6,13H,2-3H2,1H3,(H,10,12)(H,11,14)
InChIKeyPAPXLLMSNMWEML-UHFFFAOYSA-N
MW255.30 g/mol
LogP-0.04
Rot. Bonds5

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

N-[2-(1H-imidazol-5-yl)ethyl]-2-methyl-1H-imidazole-5-sulfonamide (PubChem CID 65231692) has the molecular formula C9H13N5O2S and a molecular weight of 255.30 g/mol. Its IUPAC name is N-[2-(1H-imidazol-5-yl)ethyl]-2-methyl-1H-imidazole-5-sulfonamide.

Molecular Properties

Compound NameN-[2-(1H-imidazol-5-yl)ethyl]-2-methyl-1H-imidazole-5-sulfonamide
PubChem CID65231692
Molecular FormulaC9H13N5O2S
Molecular Weight255.30 g/mol
Exact Mass255.08
IUPAC NameN-[2-(1H-imidazol-5-yl)ethyl]-2-methyl-1H-imidazole-5-sulfonamide
SMILESCc1ncc(S(=O)(=O)NCCc2cnc[nH]2)[nH]1
InChIInChI=1S/C9H13N5O2S/c1-7-11-5-9(14-7)17(15,16)13-3-2-8-4-10-6-12-8/h4-6,13H,2-3H2,1H3,(H,10,12)(H,11,14)
InChIKeyPAPXLLMSNMWEML-UHFFFAOYSA-N
XLogP-0.04
TPSA103.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.30
LogP ≤ 5-0.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1H-imidazole-5-sulfonamide
CID 103861343
N-[3-(methanesulfonamido)propyl]-2-methyl-1H-imidazole-5-sulfonamide
CID 113349618
2-methyl-N-[2-(2-methylphenyl)ethyl]-1H-imidazole-5-sulfonamide
CID 79755225
2-methyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]-1H-imidazole-5-sulfonamide
CID 64531508
2-methyl-N-[(E)-pent-3-enyl]-1H-imidazole-5-sulfonamide
CID 115897668
4-hydrazinyl-N-[2-(1H-imidazol-5-yl)ethyl]-2,6-dimethylbenzenesulfonamide
CID 107328062
3-amino-N-[2-(1H-imidazol-5-yl)ethyl]-5-methylbenzenesulfonamide
CID 65230879
N-[2-(1H-imidazol-5-yl)ethyl]-1H-pyrazole-4-sulfonamide
CID 65231374
2-chloro-N-[2-(1H-imidazol-5-yl)ethyl]-1,3-thiazole-5-sulfonamide
CID 65231952
1-ethyl-N-[2-(1H-imidazol-5-yl)ethyl]imidazole-4-sulfonamide
CID 79372698
5-chloro-6-(ethylamino)-N-[2-(1H-imidazol-5-yl)ethyl]pyridine-3-sulfonamide
CID 65236588
N-[2-(1H-imidazol-5-yl)ethyl]-1-methylpyrrole-3-sulfonamide
CID 65231514

Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-imidazol-5-yl)ethyl]-2-methyl-1H-imidazole-5-sulfonamide?
The IUPAC name of N-[2-(1H-imidazol-5-yl)ethyl]-2-methyl-1H-imidazole-5-sulfonamide (CID 65231692) is N-[2-(1H-imidazol-5-yl)ethyl]-2-methyl-1H-imidazole-5-sulfonamide.
What is the SMILES notation for N-[2-(1H-imidazol-5-yl)ethyl]-2-methyl-1H-imidazole-5-sulfonamide?
The canonical SMILES for N-[2-(1H-imidazol-5-yl)ethyl]-2-methyl-1H-imidazole-5-sulfonamide is Cc1ncc(S(=O)(=O)NCCc2cnc[nH]2)[nH]1.
What is the InChIKey of N-[2-(1H-imidazol-5-yl)ethyl]-2-methyl-1H-imidazole-5-sulfonamide?
The InChIKey is PAPXLLMSNMWEML-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N5O2S/c1-7-11-5-9(14-7)17(15,16)13-3-2-8-4-10-6-12-8/h4-6,13H,2-3H2,1H3,(H,10,12)(H,11,14).
What are the key properties of N-[2-(1H-imidazol-5-yl)ethyl]-2-methyl-1H-imidazole-5-sulfonamide?
N-[2-(1H-imidazol-5-yl)ethyl]-2-methyl-1H-imidazole-5-sulfonamide has a molecular weight of 255.30 g/mol, XLogP of -0.04, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-imidazol-5-yl)ethyl]-2-methyl-1H-imidazole-5-sulfonamide is sourced from PubChem (CID 65231692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).