N-[2-chloro-5-(trifluoromethyl)phenyl]-1-methylimidazole-2-sulfonamide

C11H9ClF3N3O2S — CID 155553397

IUPACN-[2-chloro-5-(trifluoromethyl)phenyl]-1-methylimidazole-2-sulfonamide
SMILESCn1ccnc1S(=O)(=O)Nc1cc(C(F)(F)F)ccc1Cl
InChIInChI=1S/C11H9ClF3N3O2S/c1-18-5-4-16-10(18)21(19,20)17-9-6-7(11(13,14)15)2-3-8(9)12/h2-6,17H,1H3
InChIKeyZHOPTXLAWKDPJH-UHFFFAOYSA-N
MW339.73 g/mol
LogP2.89
Rot. Bonds3

About N-[2-chloro-5-(trifluoromethyl)phenyl]-1-methylimidazole-2-sulfonamide

N-[2-chloro-5-(trifluoromethyl)phenyl]-1-methylimidazole-2-sulfonamide (PubChem CID 155553397) has the molecular formula C11H9ClF3N3O2S and a molecular weight of 339.73 g/mol. Its IUPAC name is N-[2-chloro-5-(trifluoromethyl)phenyl]-1-methylimidazole-2-sulfonamide.

Molecular Properties

Compound NameN-[2-chloro-5-(trifluoromethyl)phenyl]-1-methylimidazole-2-sulfonamide
PubChem CID155553397
Molecular FormulaC11H9ClF3N3O2S
Molecular Weight339.73 g/mol
Exact Mass339.01
IUPAC NameN-[2-chloro-5-(trifluoromethyl)phenyl]-1-methylimidazole-2-sulfonamide
SMILESCn1ccnc1S(=O)(=O)Nc1cc(C(F)(F)F)ccc1Cl
InChIInChI=1S/C11H9ClF3N3O2S/c1-18-5-4-16-10(18)21(19,20)17-9-6-7(11(13,14)15)2-3-8(9)12/h2-6,17H,1H3
InChIKeyZHOPTXLAWKDPJH-UHFFFAOYSA-N
XLogP2.89
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.73
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-5-(trifluoromethyl)phenyl]-1-methylimidazole-2-sulfonamide?
The IUPAC name of N-[2-chloro-5-(trifluoromethyl)phenyl]-1-methylimidazole-2-sulfonamide (CID 155553397) is N-[2-chloro-5-(trifluoromethyl)phenyl]-1-methylimidazole-2-sulfonamide.
What is the SMILES notation for N-[2-chloro-5-(trifluoromethyl)phenyl]-1-methylimidazole-2-sulfonamide?
The canonical SMILES for N-[2-chloro-5-(trifluoromethyl)phenyl]-1-methylimidazole-2-sulfonamide is Cn1ccnc1S(=O)(=O)Nc1cc(C(F)(F)F)ccc1Cl.
What is the InChIKey of N-[2-chloro-5-(trifluoromethyl)phenyl]-1-methylimidazole-2-sulfonamide?
The InChIKey is ZHOPTXLAWKDPJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClF3N3O2S/c1-18-5-4-16-10(18)21(19,20)17-9-6-7(11(13,14)15)2-3-8(9)12/h2-6,17H,1H3.
What are the key properties of N-[2-chloro-5-(trifluoromethyl)phenyl]-1-methylimidazole-2-sulfonamide?
N-[2-chloro-5-(trifluoromethyl)phenyl]-1-methylimidazole-2-sulfonamide has a molecular weight of 339.73 g/mol, XLogP of 2.89, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-5-(trifluoromethyl)phenyl]-1-methylimidazole-2-sulfonamide is sourced from PubChem (CID 155553397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).