4-(dimethylsulfamoyl)-N-[3-(1,3-dithian-2-yl)phenyl]benzamide

C19H22N2O3S3 — CID 27842666

IUPAC4-(dimethylsulfamoyl)-N-[3-(1,3-dithian-2-yl)phenyl]benzamide
SMILESCN(C)S(=O)(=O)c1ccc(C(=O)Nc2cccc(C3SCCCS3)c2)cc1
InChIInChI=1S/C19H22N2O3S3/c1-21(2)27(23,24)17-9-7-14(8-10-17)18(22)20-16-6-3-5-15(13-16)19-25-11-4-12-26-19/h3,5-10,13,19H,4,11-12H2,1-2H3,(H,20,22)
InChIKeyGKTMBUTUCSHMSI-UHFFFAOYSA-N
MW422.60 g/mol
LogP4.06
Rot. Bonds5

About 4-(dimethylsulfamoyl)-N-[3-(1,3-dithian-2-yl)phenyl]benzamide

4-(dimethylsulfamoyl)-N-[3-(1,3-dithian-2-yl)phenyl]benzamide (PubChem CID 27842666) has the molecular formula C19H22N2O3S3 and a molecular weight of 422.60 g/mol. Its IUPAC name is 4-(dimethylsulfamoyl)-N-[3-(1,3-dithian-2-yl)phenyl]benzamide.

Molecular Properties

Compound Name4-(dimethylsulfamoyl)-N-[3-(1,3-dithian-2-yl)phenyl]benzamide
PubChem CID27842666
Molecular FormulaC19H22N2O3S3
Molecular Weight422.60 g/mol
Exact Mass422.08
IUPAC Name4-(dimethylsulfamoyl)-N-[3-(1,3-dithian-2-yl)phenyl]benzamide
SMILESCN(C)S(=O)(=O)c1ccc(C(=O)Nc2cccc(C3SCCCS3)c2)cc1
InChIInChI=1S/C19H22N2O3S3/c1-21(2)27(23,24)17-9-7-14(8-10-17)18(22)20-16-6-3-5-15(13-16)19-25-11-4-12-26-19/h3,5-10,13,19H,4,11-12H2,1-2H3,(H,20,22)
InChIKeyGKTMBUTUCSHMSI-UHFFFAOYSA-N
XLogP4.06
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.60
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(dimethylamino)-N-[3-(1,3-dithiolan-2-yl)phenyl]benzamide
CID 60601174
2-[(4-chlorophenyl)sulfonyl-methylamino]-N-[3-(1,3-dithian-2-yl)phenyl]acetamide
CID 27842609
N-[3-(1,3-dithiolan-2-yl)phenyl]-3-methylsulfonylbenzamide
CID 27889138
N-cyclopropyl-3-[[4-(dimethylsulfamoyl)benzoyl]amino]benzamide
CID 9247210
N-[3-(1,3-dithian-2-yl)phenyl]furan-3-carboxamide
CID 27022341
3-[[4-(1,3-dithian-2-yl)benzoyl]amino]-N-methylbenzamide
CID 18208547
methyl 3-[[4-(dimethylsulfamoyl)benzoyl]amino]benzoate
CID 2676546
N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]-4-(1,3-dithian-2-yl)benzamide
CID 26421884
N-[3-(dimethylsulfamoyl)phenyl]-4-methylsulfonylbenzamide
CID 9093665
2-chloro-N-[3-(1,3-dithiolan-2-yl)phenyl]-5-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 35852240
N-[3-(1,3-dithian-2-yl)phenyl]-4-(pyrazol-1-ylmethyl)benzamide
CID 26129053
4-(cyclopropanecarbonylamino)-N-[3-(dimethylsulfamoyl)phenyl]benzamide
CID 26289281

Frequently Asked Questions

What is the IUPAC name of 4-(dimethylsulfamoyl)-N-[3-(1,3-dithian-2-yl)phenyl]benzamide?
The IUPAC name of 4-(dimethylsulfamoyl)-N-[3-(1,3-dithian-2-yl)phenyl]benzamide (CID 27842666) is 4-(dimethylsulfamoyl)-N-[3-(1,3-dithian-2-yl)phenyl]benzamide.
What is the SMILES notation for 4-(dimethylsulfamoyl)-N-[3-(1,3-dithian-2-yl)phenyl]benzamide?
The canonical SMILES for 4-(dimethylsulfamoyl)-N-[3-(1,3-dithian-2-yl)phenyl]benzamide is CN(C)S(=O)(=O)c1ccc(C(=O)Nc2cccc(C3SCCCS3)c2)cc1.
What is the InChIKey of 4-(dimethylsulfamoyl)-N-[3-(1,3-dithian-2-yl)phenyl]benzamide?
The InChIKey is GKTMBUTUCSHMSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3S3/c1-21(2)27(23,24)17-9-7-14(8-10-17)18(22)20-16-6-3-5-15(13-16)19-25-11-4-12-26-19/h3,5-10,13,19H,4,11-12H2,1-2H3,(H,20,22).
What are the key properties of 4-(dimethylsulfamoyl)-N-[3-(1,3-dithian-2-yl)phenyl]benzamide?
4-(dimethylsulfamoyl)-N-[3-(1,3-dithian-2-yl)phenyl]benzamide has a molecular weight of 422.60 g/mol, XLogP of 4.06, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylsulfamoyl)-N-[3-(1,3-dithian-2-yl)phenyl]benzamide is sourced from PubChem (CID 27842666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).