3,5-dibromo-N-[2-(4-chlorophenyl)sulfanyl-5-(diethylsulfamoyl)phenyl]-4-ethylbenzamide

C25H25Br2ClN2O3S2 — CID 166347811

IUPAC3,5-dibromo-N-[2-(4-chlorophenyl)sulfanyl-5-(diethylsulfamoyl)phenyl]-4-ethylbenzamide
SMILESCCc1c(Br)cc(C(=O)Nc2cc(S(=O)(=O)N(CC)CC)ccc2Sc2ccc(Cl)cc2)cc1Br
InChIInChI=1S/C25H25Br2ClN2O3S2/c1-4-20-21(26)13-16(14-22(20)27)25(31)29-23-15-19(35(32,33)30(5-2)6-3)11-12-24(23)34-18-9-7-17(28)8-10-18/h7-15H,4-6H2,1-3H3,(H,29,31)
InChIKeyWFQRFBCWDXAUIJ-UHFFFAOYSA-N
MW660.88 g/mol
LogP7.86
Rot. Bonds9

About 3,5-dibromo-N-[2-(4-chlorophenyl)sulfanyl-5-(diethylsulfamoyl)phenyl]-4-ethylbenzamide

3,5-dibromo-N-[2-(4-chlorophenyl)sulfanyl-5-(diethylsulfamoyl)phenyl]-4-ethylbenzamide (PubChem CID 166347811) has the molecular formula C25H25Br2ClN2O3S2 and a molecular weight of 660.88 g/mol. Its IUPAC name is 3,5-dibromo-N-[2-(4-chlorophenyl)sulfanyl-5-(diethylsulfamoyl)phenyl]-4-ethylbenzamide.

Molecular Properties

Compound Name3,5-dibromo-N-[2-(4-chlorophenyl)sulfanyl-5-(diethylsulfamoyl)phenyl]-4-ethylbenzamide
PubChem CID166347811
Molecular FormulaC25H25Br2ClN2O3S2
Molecular Weight660.88 g/mol
Exact Mass657.94
IUPAC Name3,5-dibromo-N-[2-(4-chlorophenyl)sulfanyl-5-(diethylsulfamoyl)phenyl]-4-ethylbenzamide
SMILESCCc1c(Br)cc(C(=O)Nc2cc(S(=O)(=O)N(CC)CC)ccc2Sc2ccc(Cl)cc2)cc1Br
InChIInChI=1S/C25H25Br2ClN2O3S2/c1-4-20-21(26)13-16(14-22(20)27)25(31)29-23-15-19(35(32,33)30(5-2)6-3)11-12-24(23)34-18-9-7-17(28)8-10-18/h7-15H,4-6H2,1-3H3,(H,29,31)
InChIKeyWFQRFBCWDXAUIJ-UHFFFAOYSA-N
XLogP7.86
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500660.88
LogP ≤ 57.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4-chlorophenyl)sulfanyl-5-(diethylsulfamoyl)phenyl]-2-[(2,5-difluorophenyl)methyl]piperidine-1-carboxamide
CID 167977034
2-(4-bromophenyl)sulfanyl-5-(diethylsulfamoyl)benzoate
CID 5252610
N-[5-(diethylsulfamoyl)-2-methylsulfanylphenyl]acetamide
CID 100500584
N-[2-chloro-5-(diethylsulfamoyl)phenyl]-4-propan-2-ylsulfonylbenzamide
CID 55752915
N-[2-chloro-5-(diethylsulfamoyl)phenyl]pyridine-4-carboxamide
CID 2963512
N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-4-propan-2-ylbenzamide
CID 35993040
N-[2-(4-chlorophenoxy)-5-(diethylsulfamoyl)phenyl]-1-methyl-2-oxopyridine-4-carboxamide
CID 55574853
2-(4-bromophenyl)sulfanyl-N-[2-chloro-5-(diethylsulfamoyl)phenyl]acetamide
CID 4549177
N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-3,4,5-trimethoxybenzamide
CID 2913924
3-chloro-N-[5-(diethylsulfamoyl)-2-(dimethylamino)phenyl]-4,5-dimethoxybenzamide
CID 4878392
4-amino-N-[5-(diethylsulfamoyl)-2-(ethylamino)phenyl]benzamide
CID 119680565
N-[5-chloro-2-(dimethylamino)phenyl]-5-(diethylsulfamoyl)-2-fluorobenzamide
CID 55336223

Frequently Asked Questions

What is the IUPAC name of 3,5-dibromo-N-[2-(4-chlorophenyl)sulfanyl-5-(diethylsulfamoyl)phenyl]-4-ethylbenzamide?
The IUPAC name of 3,5-dibromo-N-[2-(4-chlorophenyl)sulfanyl-5-(diethylsulfamoyl)phenyl]-4-ethylbenzamide (CID 166347811) is 3,5-dibromo-N-[2-(4-chlorophenyl)sulfanyl-5-(diethylsulfamoyl)phenyl]-4-ethylbenzamide.
What is the SMILES notation for 3,5-dibromo-N-[2-(4-chlorophenyl)sulfanyl-5-(diethylsulfamoyl)phenyl]-4-ethylbenzamide?
The canonical SMILES for 3,5-dibromo-N-[2-(4-chlorophenyl)sulfanyl-5-(diethylsulfamoyl)phenyl]-4-ethylbenzamide is CCc1c(Br)cc(C(=O)Nc2cc(S(=O)(=O)N(CC)CC)ccc2Sc2ccc(Cl)cc2)cc1Br.
What is the InChIKey of 3,5-dibromo-N-[2-(4-chlorophenyl)sulfanyl-5-(diethylsulfamoyl)phenyl]-4-ethylbenzamide?
The InChIKey is WFQRFBCWDXAUIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25Br2ClN2O3S2/c1-4-20-21(26)13-16(14-22(20)27)25(31)29-23-15-19(35(32,33)30(5-2)6-3)11-12-24(23)34-18-9-7-17(28)8-10-18/h7-15H,4-6H2,1-3H3,(H,29,31).
What are the key properties of 3,5-dibromo-N-[2-(4-chlorophenyl)sulfanyl-5-(diethylsulfamoyl)phenyl]-4-ethylbenzamide?
3,5-dibromo-N-[2-(4-chlorophenyl)sulfanyl-5-(diethylsulfamoyl)phenyl]-4-ethylbenzamide has a molecular weight of 660.88 g/mol, XLogP of 7.86, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dibromo-N-[2-(4-chlorophenyl)sulfanyl-5-(diethylsulfamoyl)phenyl]-4-ethylbenzamide is sourced from PubChem (CID 166347811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).