N-butyl-5-chloro-1-methyl-N-(2,2,2-trifluoroethyl)imidazole-4-sulfonamide

C10H15ClF3N3O2S — CID 61046128

IUPACN-butyl-5-chloro-1-methyl-N-(2,2,2-trifluoroethyl)imidazole-4-sulfonamide
SMILESCCCCN(CC(F)(F)F)S(=O)(=O)c1ncn(C)c1Cl
InChIInChI=1S/C10H15ClF3N3O2S/c1-3-4-5-17(6-10(12,13)14)20(18,19)9-8(11)16(2)7-15-9/h7H,3-6H2,1-2H3
InChIKeyBYXZQMFYTWWYJZ-UHFFFAOYSA-N
MW333.76 g/mol
LogP2.43
Rot. Bonds6

About N-butyl-5-chloro-1-methyl-N-(2,2,2-trifluoroethyl)imidazole-4-sulfonamide

N-butyl-5-chloro-1-methyl-N-(2,2,2-trifluoroethyl)imidazole-4-sulfonamide (PubChem CID 61046128) has the molecular formula C10H15ClF3N3O2S and a molecular weight of 333.76 g/mol. Its IUPAC name is N-butyl-5-chloro-1-methyl-N-(2,2,2-trifluoroethyl)imidazole-4-sulfonamide.

Molecular Properties

Compound NameN-butyl-5-chloro-1-methyl-N-(2,2,2-trifluoroethyl)imidazole-4-sulfonamide
PubChem CID61046128
Molecular FormulaC10H15ClF3N3O2S
Molecular Weight333.76 g/mol
Exact Mass333.05
IUPAC NameN-butyl-5-chloro-1-methyl-N-(2,2,2-trifluoroethyl)imidazole-4-sulfonamide
SMILESCCCCN(CC(F)(F)F)S(=O)(=O)c1ncn(C)c1Cl
InChIInChI=1S/C10H15ClF3N3O2S/c1-3-4-5-17(6-10(12,13)14)20(18,19)9-8(11)16(2)7-15-9/h7H,3-6H2,1-2H3
InChIKeyBYXZQMFYTWWYJZ-UHFFFAOYSA-N
XLogP2.43
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.76
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-butyl-5-chloro-1-methyl-N-(2,2,2-trifluoroethyl)imidazole-4-sulfonamide?
The IUPAC name of N-butyl-5-chloro-1-methyl-N-(2,2,2-trifluoroethyl)imidazole-4-sulfonamide (CID 61046128) is N-butyl-5-chloro-1-methyl-N-(2,2,2-trifluoroethyl)imidazole-4-sulfonamide.
What is the SMILES notation for N-butyl-5-chloro-1-methyl-N-(2,2,2-trifluoroethyl)imidazole-4-sulfonamide?
The canonical SMILES for N-butyl-5-chloro-1-methyl-N-(2,2,2-trifluoroethyl)imidazole-4-sulfonamide is CCCCN(CC(F)(F)F)S(=O)(=O)c1ncn(C)c1Cl.
What is the InChIKey of N-butyl-5-chloro-1-methyl-N-(2,2,2-trifluoroethyl)imidazole-4-sulfonamide?
The InChIKey is BYXZQMFYTWWYJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClF3N3O2S/c1-3-4-5-17(6-10(12,13)14)20(18,19)9-8(11)16(2)7-15-9/h7H,3-6H2,1-2H3.
What are the key properties of N-butyl-5-chloro-1-methyl-N-(2,2,2-trifluoroethyl)imidazole-4-sulfonamide?
N-butyl-5-chloro-1-methyl-N-(2,2,2-trifluoroethyl)imidazole-4-sulfonamide has a molecular weight of 333.76 g/mol, XLogP of 2.43, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-5-chloro-1-methyl-N-(2,2,2-trifluoroethyl)imidazole-4-sulfonamide is sourced from PubChem (CID 61046128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).