N-(2-chloroethyl)-N-(2,2-difluoroethyl)-3,3-dimethylbutane-1-sulfonamide

C10H20ClF2NO2S — CID 107492819

IUPACN-(2-chloroethyl)-N-(2,2-difluoroethyl)-3,3-dimethylbutane-1-sulfonamide
SMILESCC(C)(C)CCS(=O)(=O)N(CCCl)CC(F)F
InChIInChI=1S/C10H20ClF2NO2S/c1-10(2,3)4-7-17(15,16)14(6-5-11)8-9(12)13/h9H,4-8H2,1-3H3
InChIKeyVVCDLKDVDVJCQQ-UHFFFAOYSA-N
MW291.79 g/mol
LogP2.56
Rot. Bonds7

About N-(2-chloroethyl)-N-(2,2-difluoroethyl)-3,3-dimethylbutane-1-sulfonamide

N-(2-chloroethyl)-N-(2,2-difluoroethyl)-3,3-dimethylbutane-1-sulfonamide (PubChem CID 107492819) has the molecular formula C10H20ClF2NO2S and a molecular weight of 291.79 g/mol. Its IUPAC name is N-(2-chloroethyl)-N-(2,2-difluoroethyl)-3,3-dimethylbutane-1-sulfonamide.

Molecular Properties

Compound NameN-(2-chloroethyl)-N-(2,2-difluoroethyl)-3,3-dimethylbutane-1-sulfonamide
PubChem CID107492819
Molecular FormulaC10H20ClF2NO2S
Molecular Weight291.79 g/mol
Exact Mass291.09
IUPAC NameN-(2-chloroethyl)-N-(2,2-difluoroethyl)-3,3-dimethylbutane-1-sulfonamide
SMILESCC(C)(C)CCS(=O)(=O)N(CCCl)CC(F)F
InChIInChI=1S/C10H20ClF2NO2S/c1-10(2,3)4-7-17(15,16)14(6-5-11)8-9(12)13/h9H,4-8H2,1-3H3
InChIKeyVVCDLKDVDVJCQQ-UHFFFAOYSA-N
XLogP2.56
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.79
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(2-chloroethyl)-N-(2,2-difluoroethyl)-3,3-dimethylbutane-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

Frequently Asked Questions

What is the IUPAC name of N-(2-chloroethyl)-N-(2,2-difluoroethyl)-3,3-dimethylbutane-1-sulfonamide?
The IUPAC name of N-(2-chloroethyl)-N-(2,2-difluoroethyl)-3,3-dimethylbutane-1-sulfonamide (CID 107492819) is N-(2-chloroethyl)-N-(2,2-difluoroethyl)-3,3-dimethylbutane-1-sulfonamide.
What is the SMILES notation for N-(2-chloroethyl)-N-(2,2-difluoroethyl)-3,3-dimethylbutane-1-sulfonamide?
The canonical SMILES for N-(2-chloroethyl)-N-(2,2-difluoroethyl)-3,3-dimethylbutane-1-sulfonamide is CC(C)(C)CCS(=O)(=O)N(CCCl)CC(F)F.
What is the InChIKey of N-(2-chloroethyl)-N-(2,2-difluoroethyl)-3,3-dimethylbutane-1-sulfonamide?
The InChIKey is VVCDLKDVDVJCQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20ClF2NO2S/c1-10(2,3)4-7-17(15,16)14(6-5-11)8-9(12)13/h9H,4-8H2,1-3H3.
What are the key properties of N-(2-chloroethyl)-N-(2,2-difluoroethyl)-3,3-dimethylbutane-1-sulfonamide?
N-(2-chloroethyl)-N-(2,2-difluoroethyl)-3,3-dimethylbutane-1-sulfonamide has a molecular weight of 291.79 g/mol, XLogP of 2.56, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloroethyl)-N-(2,2-difluoroethyl)-3,3-dimethylbutane-1-sulfonamide is sourced from PubChem (CID 107492819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).