N-[(3-chlorophenyl)methyl]-3-[(2-chlorophenyl)sulfonylamino]-N-methylpropanamide

C17H18Cl2N2O3S — CID 55349042

IUPACN-[(3-chlorophenyl)methyl]-3-[(2-chlorophenyl)sulfonylamino]-N-methylpropanamide
SMILESCN(Cc1cccc(Cl)c1)C(=O)CCNS(=O)(=O)c1ccccc1Cl
InChIInChI=1S/C17H18Cl2N2O3S/c1-21(12-13-5-4-6-14(18)11-13)17(22)9-10-20-25(23,24)16-8-3-2-7-15(16)19/h2-8,11,20H,9-10,12H2,1H3
InChIKeyWTJMLYZVDNBZIZ-UHFFFAOYSA-N
MW401.32 g/mol
LogP3.32
Rot. Bonds7

About N-[(3-chlorophenyl)methyl]-3-[(2-chlorophenyl)sulfonylamino]-N-methylpropanamide

N-[(3-chlorophenyl)methyl]-3-[(2-chlorophenyl)sulfonylamino]-N-methylpropanamide (PubChem CID 55349042) has the molecular formula C17H18Cl2N2O3S and a molecular weight of 401.32 g/mol. Its IUPAC name is N-[(3-chlorophenyl)methyl]-3-[(2-chlorophenyl)sulfonylamino]-N-methylpropanamide.

Molecular Properties

Compound NameN-[(3-chlorophenyl)methyl]-3-[(2-chlorophenyl)sulfonylamino]-N-methylpropanamide
PubChem CID55349042
Molecular FormulaC17H18Cl2N2O3S
Molecular Weight401.32 g/mol
Exact Mass400.04
IUPAC NameN-[(3-chlorophenyl)methyl]-3-[(2-chlorophenyl)sulfonylamino]-N-methylpropanamide
SMILESCN(Cc1cccc(Cl)c1)C(=O)CCNS(=O)(=O)c1ccccc1Cl
InChIInChI=1S/C17H18Cl2N2O3S/c1-21(12-13-5-4-6-14(18)11-13)17(22)9-10-20-25(23,24)16-8-3-2-7-15(16)19/h2-8,11,20H,9-10,12H2,1H3
InChIKeyWTJMLYZVDNBZIZ-UHFFFAOYSA-N
XLogP3.32
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.32
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(2-chlorophenyl)sulfonylamino]-N-[(4-cyanophenyl)methyl]-N-methylpropanamide
CID 39860943
N-[(3-chlorophenyl)methyl]-3-[(3,4-difluorophenyl)sulfonylamino]-N-methylpropanamide
CID 55348829
3-[(2-chlorophenyl)sulfonylamino]-N-methyl-N-[(2-methylphenyl)methyl]propanamide
CID 51161411
3-[(3-chlorophenyl)sulfonylamino]-N-[(4-fluorophenyl)methyl]-N-methylpropanamide
CID 51162789
N-[(2-chloro-6-fluorophenyl)methyl]-3-[(3-chlorophenyl)sulfonylamino]-N-methylpropanamide
CID 31182434
N-benzyl-3-[(2,5-dibromophenyl)sulfonylamino]-N-methylpropanamide
CID 55334609
3-[(2,4-dimethylphenyl)sulfonylamino]-N-[(3-fluorophenyl)methyl]-N-methylpropanamide
CID 86976069
4-chloro-N-[(3-chlorophenyl)methyl]-N-methylbutanamide
CID 63309428
4-amino-N-[(3-chlorophenyl)methyl]-N-methylpentanamide;hydrochloride
CID 120559058
N-benzyl-2-[(3-chlorophenyl)methylsulfonylamino]-N-methylacetamide
CID 22300743
N-benzyl-3-(2,4-dichloroanilino)-N-methylpropanamide
CID 109020531
N-[(4-chlorophenyl)methyl]-N-methyl-3-(naphthalen-2-ylsulfonylamino)propanamide
CID 26594048

Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorophenyl)methyl]-3-[(2-chlorophenyl)sulfonylamino]-N-methylpropanamide?
The IUPAC name of N-[(3-chlorophenyl)methyl]-3-[(2-chlorophenyl)sulfonylamino]-N-methylpropanamide (CID 55349042) is N-[(3-chlorophenyl)methyl]-3-[(2-chlorophenyl)sulfonylamino]-N-methylpropanamide.
What is the SMILES notation for N-[(3-chlorophenyl)methyl]-3-[(2-chlorophenyl)sulfonylamino]-N-methylpropanamide?
The canonical SMILES for N-[(3-chlorophenyl)methyl]-3-[(2-chlorophenyl)sulfonylamino]-N-methylpropanamide is CN(Cc1cccc(Cl)c1)C(=O)CCNS(=O)(=O)c1ccccc1Cl.
What is the InChIKey of N-[(3-chlorophenyl)methyl]-3-[(2-chlorophenyl)sulfonylamino]-N-methylpropanamide?
The InChIKey is WTJMLYZVDNBZIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18Cl2N2O3S/c1-21(12-13-5-4-6-14(18)11-13)17(22)9-10-20-25(23,24)16-8-3-2-7-15(16)19/h2-8,11,20H,9-10,12H2,1H3.
What are the key properties of N-[(3-chlorophenyl)methyl]-3-[(2-chlorophenyl)sulfonylamino]-N-methylpropanamide?
N-[(3-chlorophenyl)methyl]-3-[(2-chlorophenyl)sulfonylamino]-N-methylpropanamide has a molecular weight of 401.32 g/mol, XLogP of 3.32, 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-[(2-chlorophenyl)sulfonylamino]-N-methylpropanamide is sourced from PubChem (CID 55349042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).