N-(2-chloropropyl)-N,1,2-trimethylimidazole-4-sulfonamide

C9H16ClN3O2S — CID 63397074

IUPACN-(2-chloropropyl)-N,1,2-trimethylimidazole-4-sulfonamide
SMILESCc1nc(S(=O)(=O)N(C)CC(C)Cl)cn1C
InChIInChI=1S/C9H16ClN3O2S/c1-7(10)5-13(4)16(14,15)9-6-12(3)8(2)11-9/h6-7H,5H2,1-4H3
InChIKeyDLTLEQNVIREAMD-UHFFFAOYSA-N
MW265.77 g/mol
LogP0.98
Rot. Bonds4

About N-(2-chloropropyl)-N,1,2-trimethylimidazole-4-sulfonamide

N-(2-chloropropyl)-N,1,2-trimethylimidazole-4-sulfonamide (PubChem CID 63397074) has the molecular formula C9H16ClN3O2S and a molecular weight of 265.77 g/mol. Its IUPAC name is N-(2-chloropropyl)-N,1,2-trimethylimidazole-4-sulfonamide.

Molecular Properties

Compound NameN-(2-chloropropyl)-N,1,2-trimethylimidazole-4-sulfonamide
PubChem CID63397074
Molecular FormulaC9H16ClN3O2S
Molecular Weight265.77 g/mol
Exact Mass265.07
IUPAC NameN-(2-chloropropyl)-N,1,2-trimethylimidazole-4-sulfonamide
SMILESCc1nc(S(=O)(=O)N(C)CC(C)Cl)cn1C
InChIInChI=1S/C9H16ClN3O2S/c1-7(10)5-13(4)16(14,15)9-6-12(3)8(2)11-9/h6-7H,5H2,1-4H3
InChIKeyDLTLEQNVIREAMD-UHFFFAOYSA-N
XLogP0.98
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.77
LogP ≤ 50.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-(2-cyanoethyl)-N,1,2-trimethylimidazole-4-sulfonamide
CID 62062274
methyl 2-[(1,2-dimethylimidazol-4-yl)sulfonyl-methylamino]acetate
CID 55030482
N-[[4-(aminomethyl)phenyl]methyl]-N,1,2-trimethylimidazole-4-sulfonamide
CID 62062589
methyl 3-[(1,2-dimethylimidazol-4-yl)sulfonyl-methylamino]propanoate
CID 62062662
N-(2-chloro-3-methoxypropyl)-N,2-dimethyl-1-propylimidazole-4-sulfonamide
CID 63400494
2-[carboxymethyl-(1,2-dimethylimidazol-4-yl)sulfonylamino]acetic acid
CID 63646589
N,1,2-trimethyl-N-[(3-methyl-2-pyridinyl)methyl]imidazole-4-sulfonamide
CID 131951567
N,1,2-trimethyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]imidazole-4-sulfonamide
CID 131931916
N-(2-cyanopropyl)-N,2-dimethyl-1-propylimidazole-4-sulfonamide
CID 62066991
N-[1-(2-hydroxyphenyl)ethyl]-N,1,2-trimethylimidazole-4-sulfonamide
CID 62061772
N-[1-(dimethylamino)-4-methylpentan-2-yl]-1,2-dimethylimidazole-4-sulfonamide
CID 91662015
N-ethyl-N-(2-hydroxy-2-methylpropyl)-1,2-dimethylimidazole-4-sulfonamide
CID 79387609

Frequently Asked Questions

What is the IUPAC name of N-(2-chloropropyl)-N,1,2-trimethylimidazole-4-sulfonamide?
The IUPAC name of N-(2-chloropropyl)-N,1,2-trimethylimidazole-4-sulfonamide (CID 63397074) is N-(2-chloropropyl)-N,1,2-trimethylimidazole-4-sulfonamide.
What is the SMILES notation for N-(2-chloropropyl)-N,1,2-trimethylimidazole-4-sulfonamide?
The canonical SMILES for N-(2-chloropropyl)-N,1,2-trimethylimidazole-4-sulfonamide is Cc1nc(S(=O)(=O)N(C)CC(C)Cl)cn1C.
What is the InChIKey of N-(2-chloropropyl)-N,1,2-trimethylimidazole-4-sulfonamide?
The InChIKey is DLTLEQNVIREAMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16ClN3O2S/c1-7(10)5-13(4)16(14,15)9-6-12(3)8(2)11-9/h6-7H,5H2,1-4H3.
What are the key properties of N-(2-chloropropyl)-N,1,2-trimethylimidazole-4-sulfonamide?
N-(2-chloropropyl)-N,1,2-trimethylimidazole-4-sulfonamide has a molecular weight of 265.77 g/mol, XLogP of 0.98, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloropropyl)-N,1,2-trimethylimidazole-4-sulfonamide is sourced from PubChem (CID 63397074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).