benzhydryl 2,4-dichloro-5-sulfamoylbenzoate

C20H15Cl2NO4S — CID 30342257

IUPACbenzhydryl 2,4-dichloro-5-sulfamoylbenzoate
SMILESNS(=O)(=O)c1cc(C(=O)OC(c2ccccc2)c2ccccc2)c(Cl)cc1Cl
InChIInChI=1S/C20H15Cl2NO4S/c21-16-12-17(22)18(28(23,25)26)11-15(16)20(24)27-19(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-12,19H,(H2,23,25,26)
InChIKeyBNBHXANVXRERLZ-UHFFFAOYSA-N
MW436.32 g/mol
LogP4.59
Rot. Bonds5

About benzhydryl 2,4-dichloro-5-sulfamoylbenzoate

benzhydryl 2,4-dichloro-5-sulfamoylbenzoate (PubChem CID 30342257) has the molecular formula C20H15Cl2NO4S and a molecular weight of 436.32 g/mol. Its IUPAC name is benzhydryl 2,4-dichloro-5-sulfamoylbenzoate.

Molecular Properties

Compound Namebenzhydryl 2,4-dichloro-5-sulfamoylbenzoate
PubChem CID30342257
Molecular FormulaC20H15Cl2NO4S
Molecular Weight436.32 g/mol
Exact Mass435.01
IUPAC Namebenzhydryl 2,4-dichloro-5-sulfamoylbenzoate
SMILESNS(=O)(=O)c1cc(C(=O)OC(c2ccccc2)c2ccccc2)c(Cl)cc1Cl
InChIInChI=1S/C20H15Cl2NO4S/c21-16-12-17(22)18(28(23,25)26)11-15(16)20(24)27-19(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-12,19H,(H2,23,25,26)
InChIKeyBNBHXANVXRERLZ-UHFFFAOYSA-N
XLogP4.59
TPSA86.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.32
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(1S)-1-(2-chlorophenyl)ethyl] 2,4-dichloro-5-sulfamoylbenzoate
CID 8762036
benzhydryl 5-chloro-2-hydroxybenzoate
CID 931900
[(2S)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxopropan-2-yl] 2,4-dichloro-5-sulfamoylbenzoate
CID 35963918
(2-oxo-1,2-diphenylethyl) 2-chloro-5-sulfamoylbenzoate
CID 42985828
bis(2,4-dichloro-5-sulfamoylbenzoic acid);ethane-1,2-diamine
CID 50942703
3-methoxypropyl 2,4-dichloro-5-sulfamoylbenzoate
CID 65381030
propan-2-yl 4-chloro-3-sulfamoylbenzoate
CID 46638407
benzhydryl 3,5-diaminobenzoate
CID 102404480
[(E)-(3-chlorophenyl)methylideneamino] 2,4-dichloro-5-sulfamoylbenzoate
CID 177381718
propan-2-yl 2,4-dichloro-5-(cyclopropylsulfamoyl)benzoate
CID 46574592
[(1R)-2-amino-2-oxo-1-phenylethyl] 2-chloro-5-methylsulfonylbenzoate
CID 51530614
benzhydryl (2R)-2-chloropropanoate
CID 14524946

Frequently Asked Questions

What is the IUPAC name of benzhydryl 2,4-dichloro-5-sulfamoylbenzoate?
The IUPAC name of benzhydryl 2,4-dichloro-5-sulfamoylbenzoate (CID 30342257) is benzhydryl 2,4-dichloro-5-sulfamoylbenzoate.
What is the SMILES notation for benzhydryl 2,4-dichloro-5-sulfamoylbenzoate?
The canonical SMILES for benzhydryl 2,4-dichloro-5-sulfamoylbenzoate is NS(=O)(=O)c1cc(C(=O)OC(c2ccccc2)c2ccccc2)c(Cl)cc1Cl.
What is the InChIKey of benzhydryl 2,4-dichloro-5-sulfamoylbenzoate?
The InChIKey is BNBHXANVXRERLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15Cl2NO4S/c21-16-12-17(22)18(28(23,25)26)11-15(16)20(24)27-19(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-12,19H,(H2,23,25,26).
What are the key properties of benzhydryl 2,4-dichloro-5-sulfamoylbenzoate?
benzhydryl 2,4-dichloro-5-sulfamoylbenzoate has a molecular weight of 436.32 g/mol, XLogP of 4.59, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzhydryl 2,4-dichloro-5-sulfamoylbenzoate is sourced from PubChem (CID 30342257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).