5-chloro-1-methyl-N-(3-methylpentan-2-yl)imidazole-4-sulfonamide

C10H18ClN3O2S — CID 61395268

IUPAC5-chloro-1-methyl-N-(3-methylpentan-2-yl)imidazole-4-sulfonamide
SMILESCCC(C)C(C)NS(=O)(=O)c1ncn(C)c1Cl
InChIInChI=1S/C10H18ClN3O2S/c1-5-7(2)8(3)13-17(15,16)10-9(11)14(4)6-12-10/h6-8,13H,5H2,1-4H3
InChIKeyMONGNIMJYDYQIB-UHFFFAOYSA-N
MW279.79 g/mol
LogP1.79
Rot. Bonds5

About 5-chloro-1-methyl-N-(3-methylpentan-2-yl)imidazole-4-sulfonamide

5-chloro-1-methyl-N-(3-methylpentan-2-yl)imidazole-4-sulfonamide (PubChem CID 61395268) has the molecular formula C10H18ClN3O2S and a molecular weight of 279.79 g/mol. Its IUPAC name is 5-chloro-1-methyl-N-(3-methylpentan-2-yl)imidazole-4-sulfonamide.

Molecular Properties

Compound Name5-chloro-1-methyl-N-(3-methylpentan-2-yl)imidazole-4-sulfonamide
PubChem CID61395268
Molecular FormulaC10H18ClN3O2S
Molecular Weight279.79 g/mol
Exact Mass279.08
IUPAC Name5-chloro-1-methyl-N-(3-methylpentan-2-yl)imidazole-4-sulfonamide
SMILESCCC(C)C(C)NS(=O)(=O)c1ncn(C)c1Cl
InChIInChI=1S/C10H18ClN3O2S/c1-5-7(2)8(3)13-17(15,16)10-9(11)14(4)6-12-10/h6-8,13H,5H2,1-4H3
InChIKeyMONGNIMJYDYQIB-UHFFFAOYSA-N
XLogP1.79
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.79
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(5-Chloro-1-methyl-1H-imidazol-4-yl)sulfonyl]-4-(1-methylethyl)piperazine
CID 43421729
5-chloro-1-methyl-N-(3-pyrrolidin-1-ylpropyl)imidazole-4-sulfonamide
CID 47164365
N-[3-(azepan-1-yl)propyl]-5-chloro-1-methylimidazole-4-sulfonamide
CID 53499985
N-[2-(azepan-1-yl)ethyl]-5-chloro-1-methylimidazole-4-sulfonamide
CID 71897359
5-chloro-N-cyclopentyl-1-methyl-1H-imidazole-4-sulfonamide
CID 43415266
5-chloro-N,1-dimethyl-N-[(2S)-pentan-2-yl]-1H-imidazole-4-sulfonamide
CID 51683231
5-chloro-N-(1-methoxypropan-2-yl)-1-methylimidazole-4-sulfonamide
CID 43415282
5-chloro-1-methyl-N-[3-(trifluoromethyl)cyclohexyl]imidazole-4-sulfonamide
CID 60746019
5-chloro-1-methyl-N-[2-(trifluoromethyl)cyclohexyl]imidazole-4-sulfonamide
CID 60746020
5-chloro-1-methyl-N-[4-(trifluoromethyl)cyclohexyl]imidazole-4-sulfonamide
CID 60746138
5-chloro-N-(1-cyclopropylethyl)-1-methyl-N-(2,2,2-trifluoroethyl)imidazole-4-sulfonamide
CID 61042565
5-chloro-1-methyl-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)imidazole-4-sulfonamide
CID 61046693

Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-methyl-N-(3-methylpentan-2-yl)imidazole-4-sulfonamide?
The IUPAC name of 5-chloro-1-methyl-N-(3-methylpentan-2-yl)imidazole-4-sulfonamide (CID 61395268) is 5-chloro-1-methyl-N-(3-methylpentan-2-yl)imidazole-4-sulfonamide.
What is the SMILES notation for 5-chloro-1-methyl-N-(3-methylpentan-2-yl)imidazole-4-sulfonamide?
The canonical SMILES for 5-chloro-1-methyl-N-(3-methylpentan-2-yl)imidazole-4-sulfonamide is CCC(C)C(C)NS(=O)(=O)c1ncn(C)c1Cl.
What is the InChIKey of 5-chloro-1-methyl-N-(3-methylpentan-2-yl)imidazole-4-sulfonamide?
The InChIKey is MONGNIMJYDYQIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18ClN3O2S/c1-5-7(2)8(3)13-17(15,16)10-9(11)14(4)6-12-10/h6-8,13H,5H2,1-4H3.
What are the key properties of 5-chloro-1-methyl-N-(3-methylpentan-2-yl)imidazole-4-sulfonamide?
5-chloro-1-methyl-N-(3-methylpentan-2-yl)imidazole-4-sulfonamide has a molecular weight of 279.79 g/mol, XLogP of 1.79, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-methyl-N-(3-methylpentan-2-yl)imidazole-4-sulfonamide is sourced from PubChem (CID 61395268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).