5-chloro-N,1-dimethyl-N-[(2S)-pentan-2-yl]imidazole-4-sulfonamide

C10H18ClN3O2S — CID 51683231

IUPAC5-chloro-N,1-dimethyl-N-[(2S)-pentan-2-yl]imidazole-4-sulfonamide
SMILESCCC[C@H](C)N(C)S(=O)(=O)c1ncn(C)c1Cl
InChIInChI=1S/C10H18ClN3O2S/c1-5-6-8(2)14(4)17(15,16)10-9(11)13(3)7-12-10/h7-8H,5-6H2,1-4H3/t8-/m0/s1
InChIKeyVOTAJWGOUUZPIW-QMMMGPOBSA-N
MW279.79 g/mol
LogP1.88
Rot. Bonds5

About 5-chloro-N,1-dimethyl-N-[(2S)-pentan-2-yl]imidazole-4-sulfonamide

5-chloro-N,1-dimethyl-N-[(2S)-pentan-2-yl]imidazole-4-sulfonamide (PubChem CID 51683231) has the molecular formula C10H18ClN3O2S and a molecular weight of 279.79 g/mol. Its IUPAC name is 5-chloro-N,1-dimethyl-N-[(2S)-pentan-2-yl]imidazole-4-sulfonamide.

Molecular Properties

Compound Name5-chloro-N,1-dimethyl-N-[(2S)-pentan-2-yl]imidazole-4-sulfonamide
PubChem CID51683231
Molecular FormulaC10H18ClN3O2S
Molecular Weight279.79 g/mol
Exact Mass279.08
IUPAC Name5-chloro-N,1-dimethyl-N-[(2S)-pentan-2-yl]imidazole-4-sulfonamide
SMILESCCC[C@H](C)N(C)S(=O)(=O)c1ncn(C)c1Cl
InChIInChI=1S/C10H18ClN3O2S/c1-5-6-8(2)14(4)17(15,16)10-9(11)13(3)7-12-10/h7-8H,5-6H2,1-4H3/t8-/m0/s1
InChIKeyVOTAJWGOUUZPIW-QMMMGPOBSA-N
XLogP1.88
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.79
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-Chloro-1-methylimidazol-4-yl)sulfonyl-4-methylpiperazine
CID 35287935
5-Chloro-1-methyl-4-pyrrolidin-1-ylsulfonylimidazole
CID 35289039
1-(5-Chloro-1-methylimidazol-4-yl)sulfonyl-4-ethylpiperazine
CID 43415123
1-(5-Chloro-1-methylimidazol-4-yl)sulfonyl-4-propylpiperazine
CID 43415221
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-methoxypropan-2-yl)-1-methylimidazole-4-sulfonamide
CID 43415282
1-(5-chloro-1-methylimidazol-4-yl)sulfonyl-N,N-dimethylpiperidin-4-amine
CID 43430604
5-chloro-N-(2-cyanopropyl)-N-ethyl-1-methylimidazole-4-sulfonamide
CID 47298799

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N,1-dimethyl-N-[(2S)-pentan-2-yl]imidazole-4-sulfonamide?
The IUPAC name of 5-chloro-N,1-dimethyl-N-[(2S)-pentan-2-yl]imidazole-4-sulfonamide (CID 51683231) is 5-chloro-N,1-dimethyl-N-[(2S)-pentan-2-yl]imidazole-4-sulfonamide.
What is the SMILES notation for 5-chloro-N,1-dimethyl-N-[(2S)-pentan-2-yl]imidazole-4-sulfonamide?
The canonical SMILES for 5-chloro-N,1-dimethyl-N-[(2S)-pentan-2-yl]imidazole-4-sulfonamide is CCC[C@H](C)N(C)S(=O)(=O)c1ncn(C)c1Cl.
What is the InChIKey of 5-chloro-N,1-dimethyl-N-[(2S)-pentan-2-yl]imidazole-4-sulfonamide?
The InChIKey is VOTAJWGOUUZPIW-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H18ClN3O2S/c1-5-6-8(2)14(4)17(15,16)10-9(11)13(3)7-12-10/h7-8H,5-6H2,1-4H3/t8-/m0/s1.
What are the key properties of 5-chloro-N,1-dimethyl-N-[(2S)-pentan-2-yl]imidazole-4-sulfonamide?
5-chloro-N,1-dimethyl-N-[(2S)-pentan-2-yl]imidazole-4-sulfonamide has a molecular weight of 279.79 g/mol, XLogP of 1.88, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N,1-dimethyl-N-[(2S)-pentan-2-yl]imidazole-4-sulfonamide is sourced from PubChem (CID 51683231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).