cyclopropane;ethane;1-methyl-N-(4-propan-2-ylphenyl)imidazole-4-sulfonamide

C18H29N3O2S — CID 153363584

IUPACcyclopropane;ethane;1-methyl-N-(4-propan-2-ylphenyl)imidazole-4-sulfonamide
SMILESC1CC1.CC.CC(C)c1ccc(NS(=O)(=O)c2cn(C)cn2)cc1
InChIInChI=1S/C13H17N3O2S.C3H6.C2H6/c1-10(2)11-4-6-12(7-5-11)15-19(17,18)13-8-16(3)9-14-13;1-2-3-1;1-2/h4-10,15H,1-3H3;1-3H2;1-2H3
InChIKeyMLDHIVKZBWTLND-UHFFFAOYSA-N
MW351.52 g/mol
LogP4.54
Rot. Bonds4

About cyclopropane;ethane;1-methyl-N-(4-propan-2-ylphenyl)imidazole-4-sulfonamide

cyclopropane;ethane;1-methyl-N-(4-propan-2-ylphenyl)imidazole-4-sulfonamide (PubChem CID 153363584) has the molecular formula C18H29N3O2S and a molecular weight of 351.52 g/mol. Its IUPAC name is cyclopropane;ethane;1-methyl-N-(4-propan-2-ylphenyl)imidazole-4-sulfonamide.

Molecular Properties

Compound Namecyclopropane;ethane;1-methyl-N-(4-propan-2-ylphenyl)imidazole-4-sulfonamide
PubChem CID153363584
Molecular FormulaC18H29N3O2S
Molecular Weight351.52 g/mol
Exact Mass351.20
IUPAC Namecyclopropane;ethane;1-methyl-N-(4-propan-2-ylphenyl)imidazole-4-sulfonamide
SMILESC1CC1.CC.CC(C)c1ccc(NS(=O)(=O)c2cn(C)cn2)cc1
InChIInChI=1S/C13H17N3O2S.C3H6.C2H6/c1-10(2)11-4-6-12(7-5-11)15-19(17,18)13-8-16(3)9-14-13;1-2-3-1;1-2/h4-10,15H,1-3H3;1-3H2;1-2H3
InChIKeyMLDHIVKZBWTLND-UHFFFAOYSA-N
XLogP4.54
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.52
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-fluorophenyl)-1-methylimidazole-4-sulfonamide
CID 46897919
N-[4-(bromomethyl)phenyl]-1-methylimidazole-4-sulfonamide
CID 114296733
1-methyl-N-(4-phenylphenyl)imidazole-4-sulfonamide
CID 46897915
N-(6-bromo-3-pyridinyl)-1-methylimidazole-4-sulfonamide
CID 103775515
N-(4-amino-3-chlorophenyl)-1-methylimidazole-4-sulfonamide
CID 55068329
1-(1-methylimidazol-4-yl)sulfonyl-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide
CID 53085431
N-[4-(2-aminoethoxy)phenyl]-1-methylimidazole-4-sulfonamide
CID 62375102
1-methyl-N-[4-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)amino]phenyl]imidazole-4-sulfonamide
CID 122287711
N-(3-hydroxy-4-methylphenyl)-1-methylimidazole-4-sulfonamide
CID 64794060
N-[4-(3-hydroxyprop-1-ynyl)phenyl]-1-methylimidazole-4-sulfonamide
CID 62374305
1-methyl-N-(1-methyl-3-propan-2-ylpyrazol-4-yl)imidazole-4-sulfonamide
CID 146090333
1-methyl-N-(1H-pyrazol-4-yl)imidazole-4-sulfonamide
CID 62373633

Frequently Asked Questions

What is the IUPAC name of cyclopropane;ethane;1-methyl-N-(4-propan-2-ylphenyl)imidazole-4-sulfonamide?
The IUPAC name of cyclopropane;ethane;1-methyl-N-(4-propan-2-ylphenyl)imidazole-4-sulfonamide (CID 153363584) is cyclopropane;ethane;1-methyl-N-(4-propan-2-ylphenyl)imidazole-4-sulfonamide.
What is the SMILES notation for cyclopropane;ethane;1-methyl-N-(4-propan-2-ylphenyl)imidazole-4-sulfonamide?
The canonical SMILES for cyclopropane;ethane;1-methyl-N-(4-propan-2-ylphenyl)imidazole-4-sulfonamide is C1CC1.CC.CC(C)c1ccc(NS(=O)(=O)c2cn(C)cn2)cc1.
What is the InChIKey of cyclopropane;ethane;1-methyl-N-(4-propan-2-ylphenyl)imidazole-4-sulfonamide?
The InChIKey is MLDHIVKZBWTLND-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2S.C3H6.C2H6/c1-10(2)11-4-6-12(7-5-11)15-19(17,18)13-8-16(3)9-14-13;1-2-3-1;1-2/h4-10,15H,1-3H3;1-3H2;1-2H3.
What are the key properties of cyclopropane;ethane;1-methyl-N-(4-propan-2-ylphenyl)imidazole-4-sulfonamide?
cyclopropane;ethane;1-methyl-N-(4-propan-2-ylphenyl)imidazole-4-sulfonamide has a molecular weight of 351.52 g/mol, XLogP of 4.54, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropane;ethane;1-methyl-N-(4-propan-2-ylphenyl)imidazole-4-sulfonamide is sourced from PubChem (CID 153363584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).