N-[(3-chlorophenyl)methyl]-3-[(3,4-difluorophenyl)sulfonylamino]-N-methylpropanamide

C17H17ClF2N2O3S — CID 55348829

IUPACN-[(3-chlorophenyl)methyl]-3-[(3,4-difluorophenyl)sulfonylamino]-N-methylpropanamide
SMILESCN(Cc1cccc(Cl)c1)C(=O)CCNS(=O)(=O)c1ccc(F)c(F)c1
InChIInChI=1S/C17H17ClF2N2O3S/c1-22(11-12-3-2-4-13(18)9-12)17(23)7-8-21-26(24,25)14-5-6-15(19)16(20)10-14/h2-6,9-10,21H,7-8,11H2,1H3
InChIKeyAPLGIVYZZRJNFU-UHFFFAOYSA-N
MW402.85 g/mol
LogP2.95
Rot. Bonds7

About N-[(3-chlorophenyl)methyl]-3-[(3,4-difluorophenyl)sulfonylamino]-N-methylpropanamide

N-[(3-chlorophenyl)methyl]-3-[(3,4-difluorophenyl)sulfonylamino]-N-methylpropanamide (PubChem CID 55348829) has the molecular formula C17H17ClF2N2O3S and a molecular weight of 402.85 g/mol. Its IUPAC name is N-[(3-chlorophenyl)methyl]-3-[(3,4-difluorophenyl)sulfonylamino]-N-methylpropanamide.

Molecular Properties

Compound NameN-[(3-chlorophenyl)methyl]-3-[(3,4-difluorophenyl)sulfonylamino]-N-methylpropanamide
PubChem CID55348829
Molecular FormulaC17H17ClF2N2O3S
Molecular Weight402.85 g/mol
Exact Mass402.06
IUPAC NameN-[(3-chlorophenyl)methyl]-3-[(3,4-difluorophenyl)sulfonylamino]-N-methylpropanamide
SMILESCN(Cc1cccc(Cl)c1)C(=O)CCNS(=O)(=O)c1ccc(F)c(F)c1
InChIInChI=1S/C17H17ClF2N2O3S/c1-22(11-12-3-2-4-13(18)9-12)17(23)7-8-21-26(24,25)14-5-6-15(19)16(20)10-14/h2-6,9-10,21H,7-8,11H2,1H3
InChIKeyAPLGIVYZZRJNFU-UHFFFAOYSA-N
XLogP2.95
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.85
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(3-chlorophenyl)sulfonylamino]-N-[(4-fluorophenyl)methyl]-N-methylpropanamide
CID 51162789
N-[(3,4-difluorophenyl)methyl]-3-[(3,4-dimethylphenyl)sulfonylamino]-N-methylpropanamide
CID 55557770
N-[(3-chlorophenyl)methyl]-3-[(2-chlorophenyl)sulfonylamino]-N-methylpropanamide
CID 55349042
N-[(2-chloro-6-fluorophenyl)methyl]-3-[(3-chlorophenyl)sulfonylamino]-N-methylpropanamide
CID 31182434
[2-[benzyl(methyl)amino]-2-oxoethyl] 3-[(3,4-difluorophenyl)sulfonylamino]propanoate
CID 33147743
N-[(4-chlorophenyl)methyl]-N-methyl-3-(naphthalen-2-ylsulfonylamino)propanamide
CID 26594048
3-[(3,4-difluorophenyl)sulfonylamino]-N-[3-[(dimethylamino)methyl]phenyl]propanamide
CID 86979332
3-[(3-chlorophenyl)sulfonylamino]-N-methyl-N-(3,3,3-trifluoropropyl)propanamide
CID 51125196
N-(3-chlorophenyl)-3-[(3,4-difluorophenyl)sulfonylamino]propanamide
CID 26578624
N-(1,3-benzothiazol-2-ylmethyl)-3-[(3,4-difluorophenyl)sulfonylamino]-N-methylpropanamide
CID 24549977
3-[(3-chlorophenyl)sulfonylamino]-N-methyl-N-[(5-methylfuran-2-yl)methyl]propanamide
CID 31152143
N-[(3-chlorophenyl)methyl]-N-methyl-3-(4-methylphenyl)sulfonylpropanamide
CID 9440257

Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorophenyl)methyl]-3-[(3,4-difluorophenyl)sulfonylamino]-N-methylpropanamide?
The IUPAC name of N-[(3-chlorophenyl)methyl]-3-[(3,4-difluorophenyl)sulfonylamino]-N-methylpropanamide (CID 55348829) is N-[(3-chlorophenyl)methyl]-3-[(3,4-difluorophenyl)sulfonylamino]-N-methylpropanamide.
What is the SMILES notation for N-[(3-chlorophenyl)methyl]-3-[(3,4-difluorophenyl)sulfonylamino]-N-methylpropanamide?
The canonical SMILES for N-[(3-chlorophenyl)methyl]-3-[(3,4-difluorophenyl)sulfonylamino]-N-methylpropanamide is CN(Cc1cccc(Cl)c1)C(=O)CCNS(=O)(=O)c1ccc(F)c(F)c1.
What is the InChIKey of N-[(3-chlorophenyl)methyl]-3-[(3,4-difluorophenyl)sulfonylamino]-N-methylpropanamide?
The InChIKey is APLGIVYZZRJNFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClF2N2O3S/c1-22(11-12-3-2-4-13(18)9-12)17(23)7-8-21-26(24,25)14-5-6-15(19)16(20)10-14/h2-6,9-10,21H,7-8,11H2,1H3.
What are the key properties of N-[(3-chlorophenyl)methyl]-3-[(3,4-difluorophenyl)sulfonylamino]-N-methylpropanamide?
N-[(3-chlorophenyl)methyl]-3-[(3,4-difluorophenyl)sulfonylamino]-N-methylpropanamide has a molecular weight of 402.85 g/mol, XLogP of 2.95, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorophenyl)methyl]-3-[(3,4-difluorophenyl)sulfonylamino]-N-methylpropanamide is sourced from PubChem (CID 55348829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).