N-[4-[(3-chlorophenyl)sulfamoyl]phenyl]-2-phenylsulfanylpropanamide

C21H19ClN2O3S2 — CID 132673976

IUPACN-[4-[(3-chlorophenyl)sulfamoyl]phenyl]-2-phenylsulfanylpropanamide
SMILESCC(Sc1ccccc1)C(=O)Nc1ccc(S(=O)(=O)Nc2cccc(Cl)c2)cc1
InChIInChI=1S/C21H19ClN2O3S2/c1-15(28-19-8-3-2-4-9-19)21(25)23-17-10-12-20(13-11-17)29(26,27)24-18-7-5-6-16(22)14-18/h2-15,24H,1H3,(H,23,25)
InChIKeyTWKGGDCLLDRBBY-UHFFFAOYSA-N
MW446.98 g/mol
LogP5.26
Rot. Bonds7

About N-[4-[(3-chlorophenyl)sulfamoyl]phenyl]-2-phenylsulfanylpropanamide

N-[4-[(3-chlorophenyl)sulfamoyl]phenyl]-2-phenylsulfanylpropanamide (PubChem CID 132673976) has the molecular formula C21H19ClN2O3S2 and a molecular weight of 446.98 g/mol. Its IUPAC name is N-[4-[(3-chlorophenyl)sulfamoyl]phenyl]-2-phenylsulfanylpropanamide.

Molecular Properties

Compound NameN-[4-[(3-chlorophenyl)sulfamoyl]phenyl]-2-phenylsulfanylpropanamide
PubChem CID132673976
Molecular FormulaC21H19ClN2O3S2
Molecular Weight446.98 g/mol
Exact Mass446.05
IUPAC NameN-[4-[(3-chlorophenyl)sulfamoyl]phenyl]-2-phenylsulfanylpropanamide
SMILESCC(Sc1ccccc1)C(=O)Nc1ccc(S(=O)(=O)Nc2cccc(Cl)c2)cc1
InChIInChI=1S/C21H19ClN2O3S2/c1-15(28-19-8-3-2-4-9-19)21(25)23-17-10-12-20(13-11-17)29(26,27)24-18-7-5-6-16(22)14-18/h2-15,24H,1H3,(H,23,25)
InChIKeyTWKGGDCLLDRBBY-UHFFFAOYSA-N
XLogP5.26
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.98
LogP ≤ 55.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(benzenesulfonamido)phenyl]sulfanyl-N-phenylpropanamide
CID 22776010
N-[4-[(6-chloropyridazin-3-yl)sulfamoyl]phenyl]-2-phenylsulfanylpropanamide
CID 25049181
2-(4-chlorophenyl)sulfanyl-N-[4-(pyridin-3-ylsulfamoyl)phenyl]propanamide
CID 43908489
(2R)-2-phenylsulfanyl-N-[4-(pyridin-2-ylsulfamoyl)phenyl]propanamide
CID 92674258
N-phenyl-2-phenylsulfanylpropanamide
CID 2889315
2-(4-chlorophenyl)sulfanyl-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]propanamide
CID 25034798
N-(3-chlorophenyl)sulfonyl-2-phenylsulfanylpropanamide
CID 87011358
2-[4-(benzenesulfonamido)phenyl]sulfanyl-N-naphthalen-2-ylpropanamide
CID 23095708
(2R)-N-(3-chlorophenyl)-2-(4-methylphenyl)sulfanylpropanamide
CID 894028
2-[4-[(4-methylphenyl)sulfonylamino]phenyl]sulfanyl-N-(4-phenoxyphenyl)propanamide
CID 21167345
(2S)-N-[4-[(3-chlorophenyl)sulfamoyl]phenyl]-2-(3-methoxyphenoxy)propanamide
CID 94012774
(2S)-N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]-2-(4-methylphenyl)sulfanylpropanamide
CID 126187597

Frequently Asked Questions

What is the IUPAC name of N-[4-[(3-chlorophenyl)sulfamoyl]phenyl]-2-phenylsulfanylpropanamide?
The IUPAC name of N-[4-[(3-chlorophenyl)sulfamoyl]phenyl]-2-phenylsulfanylpropanamide (CID 132673976) is N-[4-[(3-chlorophenyl)sulfamoyl]phenyl]-2-phenylsulfanylpropanamide.
What is the SMILES notation for N-[4-[(3-chlorophenyl)sulfamoyl]phenyl]-2-phenylsulfanylpropanamide?
The canonical SMILES for N-[4-[(3-chlorophenyl)sulfamoyl]phenyl]-2-phenylsulfanylpropanamide is CC(Sc1ccccc1)C(=O)Nc1ccc(S(=O)(=O)Nc2cccc(Cl)c2)cc1.
What is the InChIKey of N-[4-[(3-chlorophenyl)sulfamoyl]phenyl]-2-phenylsulfanylpropanamide?
The InChIKey is TWKGGDCLLDRBBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClN2O3S2/c1-15(28-19-8-3-2-4-9-19)21(25)23-17-10-12-20(13-11-17)29(26,27)24-18-7-5-6-16(22)14-18/h2-15,24H,1H3,(H,23,25).
What are the key properties of N-[4-[(3-chlorophenyl)sulfamoyl]phenyl]-2-phenylsulfanylpropanamide?
N-[4-[(3-chlorophenyl)sulfamoyl]phenyl]-2-phenylsulfanylpropanamide has a molecular weight of 446.98 g/mol, XLogP of 5.26, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(3-chlorophenyl)sulfamoyl]phenyl]-2-phenylsulfanylpropanamide is sourced from PubChem (CID 132673976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).