5-chloro-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-1-methylimidazole-4-sulfonamide

C10H19ClN4O3S — CID 103838093

IUPAC5-chloro-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-1-methylimidazole-4-sulfonamide
SMILESCN(C)CC(C)(O)CNS(=O)(=O)c1ncn(C)c1Cl
InChIInChI=1S/C10H19ClN4O3S/c1-10(16,6-14(2)3)5-13-19(17,18)9-8(11)15(4)7-12-9/h7,13,16H,5-6H2,1-4H3
InChIKeyGVYGFTMPNHLUNW-UHFFFAOYSA-N
MW310.81 g/mol
LogP-0.34
Rot. Bonds6

About 5-chloro-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-1-methylimidazole-4-sulfonamide

5-chloro-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-1-methylimidazole-4-sulfonamide (PubChem CID 103838093) has the molecular formula C10H19ClN4O3S and a molecular weight of 310.81 g/mol. Its IUPAC name is 5-chloro-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-1-methylimidazole-4-sulfonamide.

Molecular Properties

Compound Name5-chloro-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-1-methylimidazole-4-sulfonamide
PubChem CID103838093
Molecular FormulaC10H19ClN4O3S
Molecular Weight310.81 g/mol
Exact Mass310.09
IUPAC Name5-chloro-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-1-methylimidazole-4-sulfonamide
SMILESCN(C)CC(C)(O)CNS(=O)(=O)c1ncn(C)c1Cl
InChIInChI=1S/C10H19ClN4O3S/c1-10(16,6-14(2)3)5-13-19(17,18)9-8(11)15(4)7-12-9/h7,13,16H,5-6H2,1-4H3
InChIKeyGVYGFTMPNHLUNW-UHFFFAOYSA-N
XLogP-0.34
TPSA87.46 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.81
LogP ≤ 5-0.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-chloro-N-(2-hydroxy-2-methylbutyl)-1-methylimidazole-4-sulfonamide
CID 65107131
N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-1-methylimidazole-4-sulfonamide
CID 103838100
4-chloro-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-1-methylpyrazole-5-sulfonamide
CID 106150783
5-chloro-N-(2-hydroxy-2-methylpropyl)-N,1-dimethylimidazole-4-sulfonamide
CID 79390045
2-chloro-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]pyridine-4-sulfonamide
CID 106146436
5-chloro-N-(3-hydroxy-2-methylpropyl)-1-methylimidazole-4-sulfonamide
CID 65035723
N-(3-aminopropyl)-5-chloro-1-methylimidazole-4-sulfonamide
CID 61247762
N-(4-aminobutyl)-5-chloro-1-methylimidazole-4-sulfonamide
CID 61250573
5-chloro-1-methyl-N-(4,4,4-trifluorobutyl)imidazole-4-sulfonamide
CID 79040358
methyl 3-[(5-chloro-1-methylimidazol-4-yl)sulfonylamino]propanoate
CID 60745024
5-chloro-N-(2-methoxypropyl)-1-methylimidazole-4-sulfonamide
CID 102697795
5-chloro-N-(4-hydroxypentyl)-1-methylimidazole-4-sulfonamide
CID 107271238

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-1-methylimidazole-4-sulfonamide?
The IUPAC name of 5-chloro-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-1-methylimidazole-4-sulfonamide (CID 103838093) is 5-chloro-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-1-methylimidazole-4-sulfonamide.
What is the SMILES notation for 5-chloro-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-1-methylimidazole-4-sulfonamide?
The canonical SMILES for 5-chloro-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-1-methylimidazole-4-sulfonamide is CN(C)CC(C)(O)CNS(=O)(=O)c1ncn(C)c1Cl.
What is the InChIKey of 5-chloro-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-1-methylimidazole-4-sulfonamide?
The InChIKey is GVYGFTMPNHLUNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19ClN4O3S/c1-10(16,6-14(2)3)5-13-19(17,18)9-8(11)15(4)7-12-9/h7,13,16H,5-6H2,1-4H3.
What are the key properties of 5-chloro-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-1-methylimidazole-4-sulfonamide?
5-chloro-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-1-methylimidazole-4-sulfonamide has a molecular weight of 310.81 g/mol, XLogP of -0.34, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-1-methylimidazole-4-sulfonamide is sourced from PubChem (CID 103838093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).