N-(2,3-dichlorophenyl)-2-[[5-(dimethylsulfamoyl)-2-pyridinyl]sulfanyl]propanamide

C16H17Cl2N3O3S2 — CID 43029283

IUPACN-(2,3-dichlorophenyl)-2-[[5-(dimethylsulfamoyl)-2-pyridinyl]sulfanyl]propanamide
SMILESCC(Sc1ccc(S(=O)(=O)N(C)C)cn1)C(=O)Nc1cccc(Cl)c1Cl
InChIInChI=1S/C16H17Cl2N3O3S2/c1-10(16(22)20-13-6-4-5-12(17)15(13)18)25-14-8-7-11(9-19-14)26(23,24)21(2)3/h4-10H,1-3H3,(H,20,22)
InChIKeyBBXLKFMIEGFOAC-UHFFFAOYSA-N
MW434.37 g/mol
LogP3.76
Rot. Bonds6

About N-(2,3-dichlorophenyl)-2-[[5-(dimethylsulfamoyl)-2-pyridinyl]sulfanyl]propanamide

N-(2,3-dichlorophenyl)-2-[[5-(dimethylsulfamoyl)-2-pyridinyl]sulfanyl]propanamide (PubChem CID 43029283) has the molecular formula C16H17Cl2N3O3S2 and a molecular weight of 434.37 g/mol. Its IUPAC name is N-(2,3-dichlorophenyl)-2-[[5-(dimethylsulfamoyl)-2-pyridinyl]sulfanyl]propanamide.

Molecular Properties

Compound NameN-(2,3-dichlorophenyl)-2-[[5-(dimethylsulfamoyl)-2-pyridinyl]sulfanyl]propanamide
PubChem CID43029283
Molecular FormulaC16H17Cl2N3O3S2
Molecular Weight434.37 g/mol
Exact Mass433.01
IUPAC NameN-(2,3-dichlorophenyl)-2-[[5-(dimethylsulfamoyl)-2-pyridinyl]sulfanyl]propanamide
SMILESCC(Sc1ccc(S(=O)(=O)N(C)C)cn1)C(=O)Nc1cccc(Cl)c1Cl
InChIInChI=1S/C16H17Cl2N3O3S2/c1-10(16(22)20-13-6-4-5-12(17)15(13)18)25-14-8-7-11(9-19-14)26(23,24)21(2)3/h4-10H,1-3H3,(H,20,22)
InChIKeyBBXLKFMIEGFOAC-UHFFFAOYSA-N
XLogP3.76
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.37
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-2-[[5-(azepan-1-ylsulfonyl)-2-pyridinyl]sulfanyl]-N-(2,3-dichlorophenyl)propanamide
CID 41204626
(2R)-N-(3-chlorophenyl)-2-[[5-(dimethylsulfamoyl)-2-pyridinyl]sulfanyl]propanamide
CID 7759639
N-[(2-chlorophenyl)methyl]-2-[[5-(dimethylsulfamoyl)-2-pyridinyl]sulfanyl]propanamide
CID 45351660
6-[(2S)-1-(4-chlorophenyl)-1-oxopropan-2-yl]sulfanyl-N,N-dimethylpyridine-3-sulfonamide
CID 38968038
6-[1-(4-chlorophenyl)-1-oxopropan-2-yl]sulfanyl-N,N-dimethylpyridine-3-sulfonamide
CID 42952340
2-[[5-(dimethylsulfamoyl)-2-pyridinyl]sulfanyl]propanoic acid
CID 103602501
2-[[(2R)-2-[[5-(dimethylsulfamoyl)-2-pyridinyl]sulfanyl]propanoyl]amino]thiophene-3-carboxamide
CID 27968977
N,N-dimethyl-6-[(2R)-1-(4-methylphenyl)-1-oxopropan-2-yl]sulfanylpyridine-3-sulfonamide
CID 38967801
2-[[5-(dimethylsulfamoyl)-2-pyridinyl]sulfanyl]-N-(1-phenylbutyl)propanamide
CID 45352159
N-(2,3-dichlorophenyl)-2-phenylsulfanylpropanamide
CID 2955781
N-(2,5-dichlorophenyl)-2-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)sulfanyl]propanamide
CID 46815261
(2S)-N-(2-methoxyphenyl)-2-[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)sulfanyl]propanamide
CID 7779790

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dichlorophenyl)-2-[[5-(dimethylsulfamoyl)-2-pyridinyl]sulfanyl]propanamide?
The IUPAC name of N-(2,3-dichlorophenyl)-2-[[5-(dimethylsulfamoyl)-2-pyridinyl]sulfanyl]propanamide (CID 43029283) is N-(2,3-dichlorophenyl)-2-[[5-(dimethylsulfamoyl)-2-pyridinyl]sulfanyl]propanamide.
What is the SMILES notation for N-(2,3-dichlorophenyl)-2-[[5-(dimethylsulfamoyl)-2-pyridinyl]sulfanyl]propanamide?
The canonical SMILES for N-(2,3-dichlorophenyl)-2-[[5-(dimethylsulfamoyl)-2-pyridinyl]sulfanyl]propanamide is CC(Sc1ccc(S(=O)(=O)N(C)C)cn1)C(=O)Nc1cccc(Cl)c1Cl.
What is the InChIKey of N-(2,3-dichlorophenyl)-2-[[5-(dimethylsulfamoyl)-2-pyridinyl]sulfanyl]propanamide?
The InChIKey is BBXLKFMIEGFOAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17Cl2N3O3S2/c1-10(16(22)20-13-6-4-5-12(17)15(13)18)25-14-8-7-11(9-19-14)26(23,24)21(2)3/h4-10H,1-3H3,(H,20,22).
What are the key properties of N-(2,3-dichlorophenyl)-2-[[5-(dimethylsulfamoyl)-2-pyridinyl]sulfanyl]propanamide?
N-(2,3-dichlorophenyl)-2-[[5-(dimethylsulfamoyl)-2-pyridinyl]sulfanyl]propanamide has a molecular weight of 434.37 g/mol, XLogP of 3.76, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dichlorophenyl)-2-[[5-(dimethylsulfamoyl)-2-pyridinyl]sulfanyl]propanamide is sourced from PubChem (CID 43029283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).