N-(2-chloroethyl)-N,2-dimethyl-1-propylimidazole-4-sulfonamide

C10H18ClN3O2S — CID 63396389

IUPACN-(2-chloroethyl)-N,2-dimethyl-1-propylimidazole-4-sulfonamide
SMILESCCCn1cc(S(=O)(=O)N(C)CCCl)nc1C
InChIInChI=1S/C10H18ClN3O2S/c1-4-6-14-8-10(12-9(14)2)17(15,16)13(3)7-5-11/h8H,4-7H2,1-3H3
InChIKeySBWRNQOLEWILJN-UHFFFAOYSA-N
MW279.79 g/mol
LogP1.46
Rot. Bonds6

About N-(2-chloroethyl)-N,2-dimethyl-1-propylimidazole-4-sulfonamide

N-(2-chloroethyl)-N,2-dimethyl-1-propylimidazole-4-sulfonamide (PubChem CID 63396389) has the molecular formula C10H18ClN3O2S and a molecular weight of 279.79 g/mol. Its IUPAC name is N-(2-chloroethyl)-N,2-dimethyl-1-propylimidazole-4-sulfonamide.

Molecular Properties

Compound NameN-(2-chloroethyl)-N,2-dimethyl-1-propylimidazole-4-sulfonamide
PubChem CID63396389
Molecular FormulaC10H18ClN3O2S
Molecular Weight279.79 g/mol
Exact Mass279.08
IUPAC NameN-(2-chloroethyl)-N,2-dimethyl-1-propylimidazole-4-sulfonamide
SMILESCCCn1cc(S(=O)(=O)N(C)CCCl)nc1C
InChIInChI=1S/C10H18ClN3O2S/c1-4-6-14-8-10(12-9(14)2)17(15,16)13(3)7-5-11/h8H,4-7H2,1-3H3
InChIKeySBWRNQOLEWILJN-UHFFFAOYSA-N
XLogP1.46
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.79
LogP ≤ 51.46
H-Bond Donors ≤ 50
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-(2-chloroethyl)-N,2-dimethyl-1-propylimidazole-4-sulfonamide?
The IUPAC name of N-(2-chloroethyl)-N,2-dimethyl-1-propylimidazole-4-sulfonamide (CID 63396389) is N-(2-chloroethyl)-N,2-dimethyl-1-propylimidazole-4-sulfonamide.
What is the SMILES notation for N-(2-chloroethyl)-N,2-dimethyl-1-propylimidazole-4-sulfonamide?
The canonical SMILES for N-(2-chloroethyl)-N,2-dimethyl-1-propylimidazole-4-sulfonamide is CCCn1cc(S(=O)(=O)N(C)CCCl)nc1C.
What is the InChIKey of N-(2-chloroethyl)-N,2-dimethyl-1-propylimidazole-4-sulfonamide?
The InChIKey is SBWRNQOLEWILJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18ClN3O2S/c1-4-6-14-8-10(12-9(14)2)17(15,16)13(3)7-5-11/h8H,4-7H2,1-3H3.
What are the key properties of N-(2-chloroethyl)-N,2-dimethyl-1-propylimidazole-4-sulfonamide?
N-(2-chloroethyl)-N,2-dimethyl-1-propylimidazole-4-sulfonamide has a molecular weight of 279.79 g/mol, XLogP of 1.46, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloroethyl)-N,2-dimethyl-1-propylimidazole-4-sulfonamide is sourced from PubChem (CID 63396389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).