N-[4-[2-chloroethyl(2,2-difluoroethyl)sulfamoyl]phenyl]acetamide

C12H15ClF2N2O3S — CID 107492878

IUPACN-[4-[2-chloroethyl(2,2-difluoroethyl)sulfamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)N(CCCl)CC(F)F)cc1
InChIInChI=1S/C12H15ClF2N2O3S/c1-9(18)16-10-2-4-11(5-3-10)21(19,20)17(7-6-13)8-12(14)15/h2-5,12H,6-8H2,1H3,(H,16,18)
InChIKeyQNTGUPJGCUZEBA-UHFFFAOYSA-N
MW340.78 g/mol
LogP2.14
Rot. Bonds7

About N-[4-[2-chloroethyl(2,2-difluoroethyl)sulfamoyl]phenyl]acetamide

N-[4-[2-chloroethyl(2,2-difluoroethyl)sulfamoyl]phenyl]acetamide (PubChem CID 107492878) has the molecular formula C12H15ClF2N2O3S and a molecular weight of 340.78 g/mol. Its IUPAC name is N-[4-[2-chloroethyl(2,2-difluoroethyl)sulfamoyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[2-chloroethyl(2,2-difluoroethyl)sulfamoyl]phenyl]acetamide
PubChem CID107492878
Molecular FormulaC12H15ClF2N2O3S
Molecular Weight340.78 g/mol
Exact Mass340.05
IUPAC NameN-[4-[2-chloroethyl(2,2-difluoroethyl)sulfamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)N(CCCl)CC(F)F)cc1
InChIInChI=1S/C12H15ClF2N2O3S/c1-9(18)16-10-2-4-11(5-3-10)21(19,20)17(7-6-13)8-12(14)15/h2-5,12H,6-8H2,1H3,(H,16,18)
InChIKeyQNTGUPJGCUZEBA-UHFFFAOYSA-N
XLogP2.14
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.78
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[4-[2-chloroethyl(propyl)sulfamoyl]phenyl]acetamide
CID 63397159
N-[4-[ethyl(2-hydroxyethyl)sulfamoyl]phenyl]acetamide
CID 39387601
N-[4-[butyl(ethyl)sulfamoyl]phenyl]acetamide
CID 2164655
4-[bis(2-chloroethyl)sulfamoyl]-N-[4-[[4-[[4-[bis(2-chloroethyl)sulfamoyl]benzoyl]amino]phenyl]methyl]phenyl]benzamide
CID 21203412
N-[4-[2-cyanopropyl(ethyl)sulfamoyl]phenyl]acetamide
CID 61384877
N-[4-[bis(2-chloroethyl)amino]phenyl]acetamide
CID 14613
N-[4-[2-aminopropyl(methyl)sulfamoyl]phenyl]acetamide
CID 63766968
N-(4-acetamidophenyl)-4-(diethylsulfamoyl)benzamide
CID 7940158
3-chloro-N-[4-(dibutylsulfamoyl)phenyl]propanamide
CID 94830973
N-(4-acetamidophenyl)-2-[ethyl-(4-fluorophenyl)sulfonylamino]acetamide
CID 2546752
2-[(4-acetamidophenyl)sulfonyl-pentylamino]-N-hydroxyacetamide
CID 142683353
4-acetamidobenzene(18F)sulfonyl fluoride
CID 72736472

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-chloroethyl(2,2-difluoroethyl)sulfamoyl]phenyl]acetamide?
The IUPAC name of N-[4-[2-chloroethyl(2,2-difluoroethyl)sulfamoyl]phenyl]acetamide (CID 107492878) is N-[4-[2-chloroethyl(2,2-difluoroethyl)sulfamoyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[2-chloroethyl(2,2-difluoroethyl)sulfamoyl]phenyl]acetamide?
The canonical SMILES for N-[4-[2-chloroethyl(2,2-difluoroethyl)sulfamoyl]phenyl]acetamide is CC(=O)Nc1ccc(S(=O)(=O)N(CCCl)CC(F)F)cc1.
What is the InChIKey of N-[4-[2-chloroethyl(2,2-difluoroethyl)sulfamoyl]phenyl]acetamide?
The InChIKey is QNTGUPJGCUZEBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClF2N2O3S/c1-9(18)16-10-2-4-11(5-3-10)21(19,20)17(7-6-13)8-12(14)15/h2-5,12H,6-8H2,1H3,(H,16,18).
What are the key properties of N-[4-[2-chloroethyl(2,2-difluoroethyl)sulfamoyl]phenyl]acetamide?
N-[4-[2-chloroethyl(2,2-difluoroethyl)sulfamoyl]phenyl]acetamide has a molecular weight of 340.78 g/mol, XLogP of 2.14, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-chloroethyl(2,2-difluoroethyl)sulfamoyl]phenyl]acetamide is sourced from PubChem (CID 107492878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).