N-benzyl-N-[(1-hydroxycyclopentyl)methyl]-1-methylimidazole-4-sulfonamide

C17H23N3O3S — CID 75394736

IUPACN-benzyl-N-[(1-hydroxycyclopentyl)methyl]-1-methylimidazole-4-sulfonamide
SMILESCn1cnc(S(=O)(=O)N(Cc2ccccc2)CC2(O)CCCC2)c1
InChIInChI=1S/C17H23N3O3S/c1-19-12-16(18-14-19)24(22,23)20(11-15-7-3-2-4-8-15)13-17(21)9-5-6-10-17/h2-4,7-8,12,14,21H,5-6,9-11,13H2,1H3
InChIKeyCNBFWYDTDVEBEV-UHFFFAOYSA-N
MW349.46 g/mol
LogP1.92
Rot. Bonds6

About N-benzyl-N-[(1-hydroxycyclopentyl)methyl]-1-methylimidazole-4-sulfonamide

N-benzyl-N-[(1-hydroxycyclopentyl)methyl]-1-methylimidazole-4-sulfonamide (PubChem CID 75394736) has the molecular formula C17H23N3O3S and a molecular weight of 349.46 g/mol. Its IUPAC name is N-benzyl-N-[(1-hydroxycyclopentyl)methyl]-1-methylimidazole-4-sulfonamide.

Molecular Properties

Compound NameN-benzyl-N-[(1-hydroxycyclopentyl)methyl]-1-methylimidazole-4-sulfonamide
PubChem CID75394736
Molecular FormulaC17H23N3O3S
Molecular Weight349.46 g/mol
Exact Mass349.15
IUPAC NameN-benzyl-N-[(1-hydroxycyclopentyl)methyl]-1-methylimidazole-4-sulfonamide
SMILESCn1cnc(S(=O)(=O)N(Cc2ccccc2)CC2(O)CCCC2)c1
InChIInChI=1S/C17H23N3O3S/c1-19-12-16(18-14-19)24(22,23)20(11-15-7-3-2-4-8-15)13-17(21)9-5-6-10-17/h2-4,7-8,12,14,21H,5-6,9-11,13H2,1H3
InChIKeyCNBFWYDTDVEBEV-UHFFFAOYSA-N
XLogP1.92
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.46
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-[(1-hydroxycyclopentyl)methyl]-1-methylimidazole-4-sulfonamide?
The IUPAC name of N-benzyl-N-[(1-hydroxycyclopentyl)methyl]-1-methylimidazole-4-sulfonamide (CID 75394736) is N-benzyl-N-[(1-hydroxycyclopentyl)methyl]-1-methylimidazole-4-sulfonamide.
What is the SMILES notation for N-benzyl-N-[(1-hydroxycyclopentyl)methyl]-1-methylimidazole-4-sulfonamide?
The canonical SMILES for N-benzyl-N-[(1-hydroxycyclopentyl)methyl]-1-methylimidazole-4-sulfonamide is Cn1cnc(S(=O)(=O)N(Cc2ccccc2)CC2(O)CCCC2)c1.
What is the InChIKey of N-benzyl-N-[(1-hydroxycyclopentyl)methyl]-1-methylimidazole-4-sulfonamide?
The InChIKey is CNBFWYDTDVEBEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O3S/c1-19-12-16(18-14-19)24(22,23)20(11-15-7-3-2-4-8-15)13-17(21)9-5-6-10-17/h2-4,7-8,12,14,21H,5-6,9-11,13H2,1H3.
What are the key properties of N-benzyl-N-[(1-hydroxycyclopentyl)methyl]-1-methylimidazole-4-sulfonamide?
N-benzyl-N-[(1-hydroxycyclopentyl)methyl]-1-methylimidazole-4-sulfonamide has a molecular weight of 349.46 g/mol, XLogP of 1.92, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-[(1-hydroxycyclopentyl)methyl]-1-methylimidazole-4-sulfonamide is sourced from PubChem (CID 75394736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).