5-chloro-N-(1-cyclopropylethyl)-N,1-dimethylimidazole-4-sulfonamide

C10H16ClN3O2S — CID 43421809

IUPAC5-chloro-N-(1-cyclopropylethyl)-N,1-dimethylimidazole-4-sulfonamide
SMILESCC(C1CC1)N(C)S(=O)(=O)c1ncn(C)c1Cl
InChIInChI=1S/C10H16ClN3O2S/c1-7(8-4-5-8)14(3)17(15,16)10-9(11)13(2)6-12-10/h6-8H,4-5H2,1-3H3
InChIKeyVRLPDCTWZUMJNR-UHFFFAOYSA-N
MW277.78 g/mol
LogP1.49
Rot. Bonds4

About 5-chloro-N-(1-cyclopropylethyl)-N,1-dimethylimidazole-4-sulfonamide

5-chloro-N-(1-cyclopropylethyl)-N,1-dimethylimidazole-4-sulfonamide (PubChem CID 43421809) has the molecular formula C10H16ClN3O2S and a molecular weight of 277.78 g/mol. Its IUPAC name is 5-chloro-N-(1-cyclopropylethyl)-N,1-dimethylimidazole-4-sulfonamide.

Molecular Properties

Compound Name5-chloro-N-(1-cyclopropylethyl)-N,1-dimethylimidazole-4-sulfonamide
PubChem CID43421809
Molecular FormulaC10H16ClN3O2S
Molecular Weight277.78 g/mol
Exact Mass277.07
IUPAC Name5-chloro-N-(1-cyclopropylethyl)-N,1-dimethylimidazole-4-sulfonamide
SMILESCC(C1CC1)N(C)S(=O)(=O)c1ncn(C)c1Cl
InChIInChI=1S/C10H16ClN3O2S/c1-7(8-4-5-8)14(3)17(15,16)10-9(11)13(2)6-12-10/h6-8H,4-5H2,1-3H3
InChIKeyVRLPDCTWZUMJNR-UHFFFAOYSA-N
XLogP1.49
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.78
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(1-cyclopropylethyl)-N,1-dimethylimidazole-4-sulfonamide?
The IUPAC name of 5-chloro-N-(1-cyclopropylethyl)-N,1-dimethylimidazole-4-sulfonamide (CID 43421809) is 5-chloro-N-(1-cyclopropylethyl)-N,1-dimethylimidazole-4-sulfonamide.
What is the SMILES notation for 5-chloro-N-(1-cyclopropylethyl)-N,1-dimethylimidazole-4-sulfonamide?
The canonical SMILES for 5-chloro-N-(1-cyclopropylethyl)-N,1-dimethylimidazole-4-sulfonamide is CC(C1CC1)N(C)S(=O)(=O)c1ncn(C)c1Cl.
What is the InChIKey of 5-chloro-N-(1-cyclopropylethyl)-N,1-dimethylimidazole-4-sulfonamide?
The InChIKey is VRLPDCTWZUMJNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16ClN3O2S/c1-7(8-4-5-8)14(3)17(15,16)10-9(11)13(2)6-12-10/h6-8H,4-5H2,1-3H3.
What are the key properties of 5-chloro-N-(1-cyclopropylethyl)-N,1-dimethylimidazole-4-sulfonamide?
5-chloro-N-(1-cyclopropylethyl)-N,1-dimethylimidazole-4-sulfonamide has a molecular weight of 277.78 g/mol, XLogP of 1.49, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(1-cyclopropylethyl)-N,1-dimethylimidazole-4-sulfonamide is sourced from PubChem (CID 43421809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).