N-(3-chloropropyl)-4,4,4-trifluorobutane-1-sulfonamide

C7H13ClF3NO2S — CID 83058512

IUPACN-(3-chloropropyl)-4,4,4-trifluorobutane-1-sulfonamide
SMILESO=S(=O)(CCCC(F)(F)F)NCCCCl
InChIInChI=1S/C7H13ClF3NO2S/c8-4-2-5-12-15(13,14)6-1-3-7(9,10)11/h12H,1-6H2
InChIKeyBGTFVGLMEZZXDD-UHFFFAOYSA-N
MW267.70 g/mol
LogP1.88
Rot. Bonds7

About N-(3-chloropropyl)-4,4,4-trifluorobutane-1-sulfonamide

N-(3-chloropropyl)-4,4,4-trifluorobutane-1-sulfonamide (PubChem CID 83058512) has the molecular formula C7H13ClF3NO2S and a molecular weight of 267.70 g/mol. Its IUPAC name is N-(3-chloropropyl)-4,4,4-trifluorobutane-1-sulfonamide.

Molecular Properties

Compound NameN-(3-chloropropyl)-4,4,4-trifluorobutane-1-sulfonamide
PubChem CID83058512
Molecular FormulaC7H13ClF3NO2S
Molecular Weight267.70 g/mol
Exact Mass267.03
IUPAC NameN-(3-chloropropyl)-4,4,4-trifluorobutane-1-sulfonamide
SMILESO=S(=O)(CCCC(F)(F)F)NCCCCl
InChIInChI=1S/C7H13ClF3NO2S/c8-4-2-5-12-15(13,14)6-1-3-7(9,10)11/h12H,1-6H2
InChIKeyBGTFVGLMEZZXDD-UHFFFAOYSA-N
XLogP1.88
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.70
LogP ≤ 51.88
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'}

Analyze N-(3-chloropropyl)-4,4,4-trifluorobutane-1-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-chloro-N-(2,2,2-trifluoroethyl)propane-1-sulfonamide
CID 43654160
CF3(CF2)5(CH2)2SO2NH(CH2)3Cl
CID 53469612
N-(3-chloropropyl)-1,1,1-trifluoromethanesulfonamide
CID 10421223
N-(3-chloropropyl)-1,1-difluoromethanesulfonamide
CID 43133790
3-chloro-N-(3,3,3-trifluoropropyl)propane-1-sulfonamide
CID 63227869
N-(1-chloropropan-2-yl)-1,1-difluoromethanesulfonamide
CID 65030959
N-(3-chlorobutyl)-1,1-difluoromethanesulfonamide
CID 65032340
N-(2-chloropropyl)-1,1-difluoromethanesulfonamide
CID 65033622
N-(3-chloro-2-methylpropyl)-1,1-difluoromethanesulfonamide
CID 65036776
3-chloro-2-methyl-N-(2,2,2-trifluoroethyl)propane-1-sulfonamide
CID 79580205
3-chloro-2-methyl-N-(3,3,3-trifluoropropyl)propane-1-sulfonamide
CID 79585264
N-(1-chlorobutan-2-yl)-4,4,4-trifluorobutane-1-sulfonamide
CID 83058398

Frequently Asked Questions

What is the IUPAC name of N-(3-chloropropyl)-4,4,4-trifluorobutane-1-sulfonamide?
The IUPAC name of N-(3-chloropropyl)-4,4,4-trifluorobutane-1-sulfonamide (CID 83058512) is N-(3-chloropropyl)-4,4,4-trifluorobutane-1-sulfonamide.
What is the SMILES notation for N-(3-chloropropyl)-4,4,4-trifluorobutane-1-sulfonamide?
The canonical SMILES for N-(3-chloropropyl)-4,4,4-trifluorobutane-1-sulfonamide is O=S(=O)(CCCC(F)(F)F)NCCCCl.
What is the InChIKey of N-(3-chloropropyl)-4,4,4-trifluorobutane-1-sulfonamide?
The InChIKey is BGTFVGLMEZZXDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13ClF3NO2S/c8-4-2-5-12-15(13,14)6-1-3-7(9,10)11/h12H,1-6H2.
What are the key properties of N-(3-chloropropyl)-4,4,4-trifluorobutane-1-sulfonamide?
N-(3-chloropropyl)-4,4,4-trifluorobutane-1-sulfonamide has a molecular weight of 267.70 g/mol, XLogP of 1.88, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloropropyl)-4,4,4-trifluorobutane-1-sulfonamide is sourced from PubChem (CID 83058512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).