5-chloro-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-1-methylimidazole-4-sulfonamide

C11H18ClN3O3S — CID 115359369

IUPAC5-chloro-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-1-methylimidazole-4-sulfonamide
SMILESCn1cnc(S(=O)(=O)NCC2(CO)CCCC2)c1Cl
InChIInChI=1S/C11H18ClN3O3S/c1-15-8-13-10(9(15)12)19(17,18)14-6-11(7-16)4-2-3-5-11/h8,14,16H,2-7H2,1H3
InChIKeyBYCWGYSFEQHYQF-UHFFFAOYSA-N
MW307.80 g/mol
LogP0.90
Rot. Bonds5

About 5-chloro-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-1-methylimidazole-4-sulfonamide

5-chloro-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-1-methylimidazole-4-sulfonamide (PubChem CID 115359369) has the molecular formula C11H18ClN3O3S and a molecular weight of 307.80 g/mol. Its IUPAC name is 5-chloro-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-1-methylimidazole-4-sulfonamide.

Molecular Properties

Compound Name5-chloro-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-1-methylimidazole-4-sulfonamide
PubChem CID115359369
Molecular FormulaC11H18ClN3O3S
Molecular Weight307.80 g/mol
Exact Mass307.08
IUPAC Name5-chloro-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-1-methylimidazole-4-sulfonamide
SMILESCn1cnc(S(=O)(=O)NCC2(CO)CCCC2)c1Cl
InChIInChI=1S/C11H18ClN3O3S/c1-15-8-13-10(9(15)12)19(17,18)14-6-11(7-16)4-2-3-5-11/h8,14,16H,2-7H2,1H3
InChIKeyBYCWGYSFEQHYQF-UHFFFAOYSA-N
XLogP0.90
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.80
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-1-methyl-N-[(1-phenylcyclohexyl)methyl]imidazole-4-sulfonamide
CID 47027496
5-chloro-1-methyl-N-[(1-propan-2-ylcyclopropyl)methyl]imidazole-4-sulfonamide
CID 103743754
N-(3-aminopropyl)-5-chloro-1-methylimidazole-4-sulfonamide
CID 61247762
5-chloro-1-methyl-N-[[(1S,2S)-2-methylcyclopropyl]methyl]imidazole-4-sulfonamide
CID 92861335
N-(4-aminobutyl)-5-chloro-1-methylimidazole-4-sulfonamide
CID 61250573
5-chloro-N-(2-hydroxy-2-methylbutyl)-1-methylimidazole-4-sulfonamide
CID 65107131
5-chloro-N-(5-hydroxy-4-methylpentyl)-1-methylimidazole-4-sulfonamide
CID 103858809
2-chloro-N-[[1-(hydroxymethyl)cyclohexyl]methyl]pyridine-3-sulfonamide
CID 115755597
5-chloro-N-[2-(3-hydroxypropylsulfanyl)ethyl]-1-methylimidazole-4-sulfonamide
CID 103834891
2,6-dichloro-N-[[1-(hydroxymethyl)cyclohexyl]methyl]benzenesulfonamide
CID 115755568
5-chloro-N-(2-methoxypropyl)-1-methylimidazole-4-sulfonamide
CID 102697795
5-chloro-1-methyl-N-[(5-methylpyrazin-2-yl)methyl]imidazole-4-sulfonamide
CID 62847232

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-1-methylimidazole-4-sulfonamide?
The IUPAC name of 5-chloro-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-1-methylimidazole-4-sulfonamide (CID 115359369) is 5-chloro-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-1-methylimidazole-4-sulfonamide.
What is the SMILES notation for 5-chloro-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-1-methylimidazole-4-sulfonamide?
The canonical SMILES for 5-chloro-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-1-methylimidazole-4-sulfonamide is Cn1cnc(S(=O)(=O)NCC2(CO)CCCC2)c1Cl.
What is the InChIKey of 5-chloro-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-1-methylimidazole-4-sulfonamide?
The InChIKey is BYCWGYSFEQHYQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18ClN3O3S/c1-15-8-13-10(9(15)12)19(17,18)14-6-11(7-16)4-2-3-5-11/h8,14,16H,2-7H2,1H3.
What are the key properties of 5-chloro-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-1-methylimidazole-4-sulfonamide?
5-chloro-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-1-methylimidazole-4-sulfonamide has a molecular weight of 307.80 g/mol, XLogP of 0.90, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-1-methylimidazole-4-sulfonamide is sourced from PubChem (CID 115359369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).