N,1,2-trimethyl-N-[(1-phenylpyrrolidin-3-yl)methyl]imidazole-4-sulfonamide

C17H24N4O2S — CID 131906052

IUPACN,1,2-trimethyl-N-[(1-phenylpyrrolidin-3-yl)methyl]imidazole-4-sulfonamide
SMILESCc1nc(S(=O)(=O)N(C)CC2CCN(c3ccccc3)C2)cn1C
InChIInChI=1S/C17H24N4O2S/c1-14-18-17(13-19(14)2)24(22,23)20(3)11-15-9-10-21(12-15)16-7-5-4-6-8-16/h4-8,13,15H,9-12H2,1-3H3
InChIKeySSRRUQZTDDHPDH-UHFFFAOYSA-N
MW348.47 g/mol
LogP1.88
Rot. Bonds5

About N,1,2-trimethyl-N-[(1-phenylpyrrolidin-3-yl)methyl]imidazole-4-sulfonamide

N,1,2-trimethyl-N-[(1-phenylpyrrolidin-3-yl)methyl]imidazole-4-sulfonamide (PubChem CID 131906052) has the molecular formula C17H24N4O2S and a molecular weight of 348.47 g/mol. Its IUPAC name is N,1,2-trimethyl-N-[(1-phenylpyrrolidin-3-yl)methyl]imidazole-4-sulfonamide.

Molecular Properties

Compound NameN,1,2-trimethyl-N-[(1-phenylpyrrolidin-3-yl)methyl]imidazole-4-sulfonamide
PubChem CID131906052
Molecular FormulaC17H24N4O2S
Molecular Weight348.47 g/mol
Exact Mass348.16
IUPAC NameN,1,2-trimethyl-N-[(1-phenylpyrrolidin-3-yl)methyl]imidazole-4-sulfonamide
SMILESCc1nc(S(=O)(=O)N(C)CC2CCN(c3ccccc3)C2)cn1C
InChIInChI=1S/C17H24N4O2S/c1-14-18-17(13-19(14)2)24(22,23)20(3)11-15-9-10-21(12-15)16-7-5-4-6-8-16/h4-8,13,15H,9-12H2,1-3H3
InChIKeySSRRUQZTDDHPDH-UHFFFAOYSA-N
XLogP1.88
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.47
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,1,2-trimethyl-N-[(1-phenylpyrrolidin-3-yl)methyl]imidazole-4-sulfonamide?
The IUPAC name of N,1,2-trimethyl-N-[(1-phenylpyrrolidin-3-yl)methyl]imidazole-4-sulfonamide (CID 131906052) is N,1,2-trimethyl-N-[(1-phenylpyrrolidin-3-yl)methyl]imidazole-4-sulfonamide.
What is the SMILES notation for N,1,2-trimethyl-N-[(1-phenylpyrrolidin-3-yl)methyl]imidazole-4-sulfonamide?
The canonical SMILES for N,1,2-trimethyl-N-[(1-phenylpyrrolidin-3-yl)methyl]imidazole-4-sulfonamide is Cc1nc(S(=O)(=O)N(C)CC2CCN(c3ccccc3)C2)cn1C.
What is the InChIKey of N,1,2-trimethyl-N-[(1-phenylpyrrolidin-3-yl)methyl]imidazole-4-sulfonamide?
The InChIKey is SSRRUQZTDDHPDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O2S/c1-14-18-17(13-19(14)2)24(22,23)20(3)11-15-9-10-21(12-15)16-7-5-4-6-8-16/h4-8,13,15H,9-12H2,1-3H3.
What are the key properties of N,1,2-trimethyl-N-[(1-phenylpyrrolidin-3-yl)methyl]imidazole-4-sulfonamide?
N,1,2-trimethyl-N-[(1-phenylpyrrolidin-3-yl)methyl]imidazole-4-sulfonamide has a molecular weight of 348.47 g/mol, XLogP of 1.88, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,1,2-trimethyl-N-[(1-phenylpyrrolidin-3-yl)methyl]imidazole-4-sulfonamide is sourced from PubChem (CID 131906052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).