N-(1-chloropropan-2-yl)-1-ethyl-2-methylimidazole-4-sulfonamide

C9H16ClN3O2S — CID 65030909

IUPACN-(1-chloropropan-2-yl)-1-ethyl-2-methylimidazole-4-sulfonamide
SMILESCCn1cc(S(=O)(=O)NC(C)CCl)nc1C
InChIInChI=1S/C9H16ClN3O2S/c1-4-13-6-9(11-8(13)3)16(14,15)12-7(2)5-10/h6-7,12H,4-5H2,1-3H3
InChIKeyMPWYWLVHBUVJMR-UHFFFAOYSA-N
MW265.77 g/mol
LogP1.12
Rot. Bonds5

About N-(1-chloropropan-2-yl)-1-ethyl-2-methylimidazole-4-sulfonamide

N-(1-chloropropan-2-yl)-1-ethyl-2-methylimidazole-4-sulfonamide (PubChem CID 65030909) has the molecular formula C9H16ClN3O2S and a molecular weight of 265.77 g/mol. Its IUPAC name is N-(1-chloropropan-2-yl)-1-ethyl-2-methylimidazole-4-sulfonamide.

Molecular Properties

Compound NameN-(1-chloropropan-2-yl)-1-ethyl-2-methylimidazole-4-sulfonamide
PubChem CID65030909
Molecular FormulaC9H16ClN3O2S
Molecular Weight265.77 g/mol
Exact Mass265.07
IUPAC NameN-(1-chloropropan-2-yl)-1-ethyl-2-methylimidazole-4-sulfonamide
SMILESCCn1cc(S(=O)(=O)NC(C)CCl)nc1C
InChIInChI=1S/C9H16ClN3O2S/c1-4-13-6-9(11-8(13)3)16(14,15)12-7(2)5-10/h6-7,12H,4-5H2,1-3H3
InChIKeyMPWYWLVHBUVJMR-UHFFFAOYSA-N
XLogP1.12
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.77
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(1-chloropropan-2-yl)-1-ethyl-2-methylimidazole-4-sulfonamide?
The IUPAC name of N-(1-chloropropan-2-yl)-1-ethyl-2-methylimidazole-4-sulfonamide (CID 65030909) is N-(1-chloropropan-2-yl)-1-ethyl-2-methylimidazole-4-sulfonamide.
What is the SMILES notation for N-(1-chloropropan-2-yl)-1-ethyl-2-methylimidazole-4-sulfonamide?
The canonical SMILES for N-(1-chloropropan-2-yl)-1-ethyl-2-methylimidazole-4-sulfonamide is CCn1cc(S(=O)(=O)NC(C)CCl)nc1C.
What is the InChIKey of N-(1-chloropropan-2-yl)-1-ethyl-2-methylimidazole-4-sulfonamide?
The InChIKey is MPWYWLVHBUVJMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16ClN3O2S/c1-4-13-6-9(11-8(13)3)16(14,15)12-7(2)5-10/h6-7,12H,4-5H2,1-3H3.
What are the key properties of N-(1-chloropropan-2-yl)-1-ethyl-2-methylimidazole-4-sulfonamide?
N-(1-chloropropan-2-yl)-1-ethyl-2-methylimidazole-4-sulfonamide has a molecular weight of 265.77 g/mol, XLogP of 1.12, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-chloropropan-2-yl)-1-ethyl-2-methylimidazole-4-sulfonamide is sourced from PubChem (CID 65030909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).