N-[4-[3-[3-(3,4-dichlorophenyl)-2-oxoimidazolidin-1-yl]-2-hydroxypropoxy]phenyl]methanesulfonamide

C19H21Cl2N3O5S — CID 67248861

IUPACN-[4-[3-[3-(3,4-dichlorophenyl)-2-oxoimidazolidin-1-yl]-2-hydroxypropoxy]phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1ccc(OCC(O)CN2CCN(c3ccc(Cl)c(Cl)c3)C2=O)cc1
InChIInChI=1S/C19H21Cl2N3O5S/c1-30(27,28)22-13-2-5-16(6-3-13)29-12-15(25)11-23-8-9-24(19(23)26)14-4-7-17(20)18(21)10-14/h2-7,10,15,22,25H,8-9,11-12H2,1H3
InChIKeyMMBZWRFIUCPJII-UHFFFAOYSA-N
MW474.37 g/mol
LogP3.05
Rot. Bonds8

About N-[4-[3-[3-(3,4-dichlorophenyl)-2-oxoimidazolidin-1-yl]-2-hydroxypropoxy]phenyl]methanesulfonamide

N-[4-[3-[3-(3,4-dichlorophenyl)-2-oxoimidazolidin-1-yl]-2-hydroxypropoxy]phenyl]methanesulfonamide (PubChem CID 67248861) has the molecular formula C19H21Cl2N3O5S and a molecular weight of 474.37 g/mol. Its IUPAC name is N-[4-[3-[3-(3,4-dichlorophenyl)-2-oxoimidazolidin-1-yl]-2-hydroxypropoxy]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[4-[3-[3-(3,4-dichlorophenyl)-2-oxoimidazolidin-1-yl]-2-hydroxypropoxy]phenyl]methanesulfonamide
PubChem CID67248861
Molecular FormulaC19H21Cl2N3O5S
Molecular Weight474.37 g/mol
Exact Mass473.06
IUPAC NameN-[4-[3-[3-(3,4-dichlorophenyl)-2-oxoimidazolidin-1-yl]-2-hydroxypropoxy]phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1ccc(OCC(O)CN2CCN(c3ccc(Cl)c(Cl)c3)C2=O)cc1
InChIInChI=1S/C19H21Cl2N3O5S/c1-30(27,28)22-13-2-5-16(6-3-13)29-12-15(25)11-23-8-9-24(19(23)26)14-4-7-17(20)18(21)10-14/h2-7,10,15,22,25H,8-9,11-12H2,1H3
InChIKeyMMBZWRFIUCPJII-UHFFFAOYSA-N
XLogP3.05
TPSA99.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.37
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[3-[4-(3,4-difluorophenyl)piperazin-1-yl]-2-hydroxypropoxy]phenyl]methanesulfonamide
CID 67025968
N-[4-[(2R)-3-[3-(3,4-dichlorophenyl)prop-2-enylamino]-2-hydroxypropoxy]phenyl]methanesulfonamide
CID 67252555
N-[4-[(2S)-5-(3,4-dichlorophenyl)-2-hydroxy-4-(methylamino)pentoxy]phenyl]methanesulfonamide;hydrochloride
CID 68955392
1-[4-(3,4-dichlorophenyl)piperazin-1-yl]-3-[4-[3-[4-(3,4-dichlorophenyl)piperazin-1-yl]-2-hydroxypropoxy]phenoxy]propan-2-ol
CID 16645513
[4-[3-[4-(3,4-dichlorophenyl)piperazin-1-yl]-2-hydroxypropoxy]phenyl]urea
CID 67250924
N-[4-[(2R)-2-hydroxy-3-(4-phenylpiperidin-1-yl)propoxy]phenyl]methanesulfonamide
CID 97013591
N-[4-[3-[4-(3-chloro-4-methylphenyl)piperazin-1-yl]-2-hydroxypropoxy]phenyl]acetamide
CID 2962059
N-[4-[(2S)-3-[[2-(3,4-dichlorophenyl)-3-(2,3,4-trifluorophenyl)propyl]amino]-2-hydroxypropoxy]phenyl]methanesulfonamide
CID 68957428
1-[(2S)-3-[4-[1-[4-[(2S)-3-(4-benzylpiperidin-1-yl)-2-hydroxypropoxy]phenyl]ethyl]phenoxy]-2-hydroxypropyl]-3-(4-chlorophenyl)imidazolidin-2-one
CID 143892738
2-chloro-5-(methanesulfonamido)-N-[(2R)-1-(4-methoxyphenoxy)propan-2-yl]benzamide
CID 93487152
N-[4-[(2S)-3-[2-(3,5-dihydroxyphenyl)ethylamino]-2-hydroxypropoxy]phenyl]methanesulfonamide
CID 25107956
N-[4-[3-[2-(3,4-dimethoxyphenyl)ethyl-propan-2-ylamino]-2-hydroxypropoxy]phenyl]methanesulfonamide
CID 15072509

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-[3-(3,4-dichlorophenyl)-2-oxoimidazolidin-1-yl]-2-hydroxypropoxy]phenyl]methanesulfonamide?
The IUPAC name of N-[4-[3-[3-(3,4-dichlorophenyl)-2-oxoimidazolidin-1-yl]-2-hydroxypropoxy]phenyl]methanesulfonamide (CID 67248861) is N-[4-[3-[3-(3,4-dichlorophenyl)-2-oxoimidazolidin-1-yl]-2-hydroxypropoxy]phenyl]methanesulfonamide.
What is the SMILES notation for N-[4-[3-[3-(3,4-dichlorophenyl)-2-oxoimidazolidin-1-yl]-2-hydroxypropoxy]phenyl]methanesulfonamide?
The canonical SMILES for N-[4-[3-[3-(3,4-dichlorophenyl)-2-oxoimidazolidin-1-yl]-2-hydroxypropoxy]phenyl]methanesulfonamide is CS(=O)(=O)Nc1ccc(OCC(O)CN2CCN(c3ccc(Cl)c(Cl)c3)C2=O)cc1.
What is the InChIKey of N-[4-[3-[3-(3,4-dichlorophenyl)-2-oxoimidazolidin-1-yl]-2-hydroxypropoxy]phenyl]methanesulfonamide?
The InChIKey is MMBZWRFIUCPJII-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21Cl2N3O5S/c1-30(27,28)22-13-2-5-16(6-3-13)29-12-15(25)11-23-8-9-24(19(23)26)14-4-7-17(20)18(21)10-14/h2-7,10,15,22,25H,8-9,11-12H2,1H3.
What are the key properties of N-[4-[3-[3-(3,4-dichlorophenyl)-2-oxoimidazolidin-1-yl]-2-hydroxypropoxy]phenyl]methanesulfonamide?
N-[4-[3-[3-(3,4-dichlorophenyl)-2-oxoimidazolidin-1-yl]-2-hydroxypropoxy]phenyl]methanesulfonamide has a molecular weight of 474.37 g/mol, XLogP of 3.05, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-[3-(3,4-dichlorophenyl)-2-oxoimidazolidin-1-yl]-2-hydroxypropoxy]phenyl]methanesulfonamide is sourced from PubChem (CID 67248861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).