(2S)-N-(3,4-dichlorophenyl)-2-[(2,5-dimethylphenyl)sulfonylamino]propanamide

C17H18Cl2N2O3S — CID 984227

IUPAC(2S)-N-(3,4-dichlorophenyl)-2-[(2,5-dimethylphenyl)sulfonylamino]propanamide
SMILESCc1ccc(C)c(S(=O)(=O)N[C@@H](C)C(=O)Nc2ccc(Cl)c(Cl)c2)c1
InChIInChI=1S/C17H18Cl2N2O3S/c1-10-4-5-11(2)16(8-10)25(23,24)21-12(3)17(22)20-13-6-7-14(18)15(19)9-13/h4-9,12,21H,1-3H3,(H,20,22)/t12-/m0/s1
InChIKeyINWURSRRXARIJU-LBPRGKRZSA-N
MW401.32 g/mol
LogP3.92
Rot. Bonds5

About (2S)-N-(3,4-dichlorophenyl)-2-[(2,5-dimethylphenyl)sulfonylamino]propanamide

(2S)-N-(3,4-dichlorophenyl)-2-[(2,5-dimethylphenyl)sulfonylamino]propanamide (PubChem CID 984227) has the molecular formula C17H18Cl2N2O3S and a molecular weight of 401.32 g/mol. Its IUPAC name is (2S)-N-(3,4-dichlorophenyl)-2-[(2,5-dimethylphenyl)sulfonylamino]propanamide.

Molecular Properties

Compound Name(2S)-N-(3,4-dichlorophenyl)-2-[(2,5-dimethylphenyl)sulfonylamino]propanamide
PubChem CID984227
Molecular FormulaC17H18Cl2N2O3S
Molecular Weight401.32 g/mol
Exact Mass400.04
IUPAC Name(2S)-N-(3,4-dichlorophenyl)-2-[(2,5-dimethylphenyl)sulfonylamino]propanamide
SMILESCc1ccc(C)c(S(=O)(=O)N[C@@H](C)C(=O)Nc2ccc(Cl)c(Cl)c2)c1
InChIInChI=1S/C17H18Cl2N2O3S/c1-10-4-5-11(2)16(8-10)25(23,24)21-12(3)17(22)20-13-6-7-14(18)15(19)9-13/h4-9,12,21H,1-3H3,(H,20,22)/t12-/m0/s1
InChIKeyINWURSRRXARIJU-LBPRGKRZSA-N
XLogP3.92
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.32
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-(3,4-dichlorophenyl)-2-[(2,5-dimethylphenyl)sulfonylamino]propanamide?
The IUPAC name of (2S)-N-(3,4-dichlorophenyl)-2-[(2,5-dimethylphenyl)sulfonylamino]propanamide (CID 984227) is (2S)-N-(3,4-dichlorophenyl)-2-[(2,5-dimethylphenyl)sulfonylamino]propanamide.
What is the SMILES notation for (2S)-N-(3,4-dichlorophenyl)-2-[(2,5-dimethylphenyl)sulfonylamino]propanamide?
The canonical SMILES for (2S)-N-(3,4-dichlorophenyl)-2-[(2,5-dimethylphenyl)sulfonylamino]propanamide is Cc1ccc(C)c(S(=O)(=O)N[C@@H](C)C(=O)Nc2ccc(Cl)c(Cl)c2)c1.
What is the InChIKey of (2S)-N-(3,4-dichlorophenyl)-2-[(2,5-dimethylphenyl)sulfonylamino]propanamide?
The InChIKey is INWURSRRXARIJU-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H18Cl2N2O3S/c1-10-4-5-11(2)16(8-10)25(23,24)21-12(3)17(22)20-13-6-7-14(18)15(19)9-13/h4-9,12,21H,1-3H3,(H,20,22)/t12-/m0/s1.
What are the key properties of (2S)-N-(3,4-dichlorophenyl)-2-[(2,5-dimethylphenyl)sulfonylamino]propanamide?
(2S)-N-(3,4-dichlorophenyl)-2-[(2,5-dimethylphenyl)sulfonylamino]propanamide has a molecular weight of 401.32 g/mol, XLogP of 3.92, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(3,4-dichlorophenyl)-2-[(2,5-dimethylphenyl)sulfonylamino]propanamide is sourced from PubChem (CID 984227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).