4-chloro-N-[1-(trifluoromethyl)cyclopropyl]butane-1-sulfonamide

C8H13ClF3NO2S — CID 106216710

IUPAC4-chloro-N-[1-(trifluoromethyl)cyclopropyl]butane-1-sulfonamide
SMILESO=S(=O)(CCCCCl)NC1(C(F)(F)F)CC1
InChIInChI=1S/C8H13ClF3NO2S/c9-5-1-2-6-16(14,15)13-7(3-4-7)8(10,11)12/h13H,1-6H2
InChIKeyUDTQNNIIFICKJS-UHFFFAOYSA-N
MW279.71 g/mol
LogP2.02
Rot. Bonds6

About 4-chloro-N-[1-(trifluoromethyl)cyclopropyl]butane-1-sulfonamide

4-chloro-N-[1-(trifluoromethyl)cyclopropyl]butane-1-sulfonamide (PubChem CID 106216710) has the molecular formula C8H13ClF3NO2S and a molecular weight of 279.71 g/mol. Its IUPAC name is 4-chloro-N-[1-(trifluoromethyl)cyclopropyl]butane-1-sulfonamide.

Molecular Properties

Compound Name4-chloro-N-[1-(trifluoromethyl)cyclopropyl]butane-1-sulfonamide
PubChem CID106216710
Molecular FormulaC8H13ClF3NO2S
Molecular Weight279.71 g/mol
Exact Mass279.03
IUPAC Name4-chloro-N-[1-(trifluoromethyl)cyclopropyl]butane-1-sulfonamide
SMILESO=S(=O)(CCCCCl)NC1(C(F)(F)F)CC1
InChIInChI=1S/C8H13ClF3NO2S/c9-5-1-2-6-16(14,15)13-7(3-4-7)8(10,11)12/h13H,1-6H2
InChIKeyUDTQNNIIFICKJS-UHFFFAOYSA-N
XLogP2.02
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.71
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[1-(trifluoromethyl)cyclopropyl]butane-1-sulfonamide?
The IUPAC name of 4-chloro-N-[1-(trifluoromethyl)cyclopropyl]butane-1-sulfonamide (CID 106216710) is 4-chloro-N-[1-(trifluoromethyl)cyclopropyl]butane-1-sulfonamide.
What is the SMILES notation for 4-chloro-N-[1-(trifluoromethyl)cyclopropyl]butane-1-sulfonamide?
The canonical SMILES for 4-chloro-N-[1-(trifluoromethyl)cyclopropyl]butane-1-sulfonamide is O=S(=O)(CCCCCl)NC1(C(F)(F)F)CC1.
What is the InChIKey of 4-chloro-N-[1-(trifluoromethyl)cyclopropyl]butane-1-sulfonamide?
The InChIKey is UDTQNNIIFICKJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13ClF3NO2S/c9-5-1-2-6-16(14,15)13-7(3-4-7)8(10,11)12/h13H,1-6H2.
What are the key properties of 4-chloro-N-[1-(trifluoromethyl)cyclopropyl]butane-1-sulfonamide?
4-chloro-N-[1-(trifluoromethyl)cyclopropyl]butane-1-sulfonamide has a molecular weight of 279.71 g/mol, XLogP of 2.02, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[1-(trifluoromethyl)cyclopropyl]butane-1-sulfonamide is sourced from PubChem (CID 106216710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).