N-[3-(dimethylsulfamoyl)phenyl]-4-methylsulfonylbenzamide

C16H18N2O5S2 — CID 9093665

IUPACN-[3-(dimethylsulfamoyl)phenyl]-4-methylsulfonylbenzamide
SMILESCN(C)S(=O)(=O)c1cccc(NC(=O)c2ccc(S(C)(=O)=O)cc2)c1
InChIInChI=1S/C16H18N2O5S2/c1-18(2)25(22,23)15-6-4-5-13(11-15)17-16(19)12-7-9-14(10-8-12)24(3,20)21/h4-11H,1-3H3,(H,17,19)
InChIKeyMHGQVIFXGPNFQJ-UHFFFAOYSA-N
MW382.46 g/mol
LogP1.59
Rot. Bonds5

About N-[3-(dimethylsulfamoyl)phenyl]-4-methylsulfonylbenzamide

N-[3-(dimethylsulfamoyl)phenyl]-4-methylsulfonylbenzamide (PubChem CID 9093665) has the molecular formula C16H18N2O5S2 and a molecular weight of 382.46 g/mol. Its IUPAC name is N-[3-(dimethylsulfamoyl)phenyl]-4-methylsulfonylbenzamide.

Molecular Properties

Compound NameN-[3-(dimethylsulfamoyl)phenyl]-4-methylsulfonylbenzamide
PubChem CID9093665
Molecular FormulaC16H18N2O5S2
Molecular Weight382.46 g/mol
Exact Mass382.07
IUPAC NameN-[3-(dimethylsulfamoyl)phenyl]-4-methylsulfonylbenzamide
SMILESCN(C)S(=O)(=O)c1cccc(NC(=O)c2ccc(S(C)(=O)=O)cc2)c1
InChIInChI=1S/C16H18N2O5S2/c1-18(2)25(22,23)15-6-4-5-13(11-15)17-16(19)12-7-9-14(10-8-12)24(3,20)21/h4-11H,1-3H3,(H,17,19)
InChIKeyMHGQVIFXGPNFQJ-UHFFFAOYSA-N
XLogP1.59
TPSA100.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(dimethylsulfamoyl)-N-(4-methylsulfonylphenyl)benzamide
CID 4845311
4-(cyclopropanecarbonylamino)-N-[3-(dimethylsulfamoyl)phenyl]benzamide
CID 26289281
N-[3-[(4-tert-butylbenzoyl)amino]phenyl]-3-(dimethylsulfamoyl)benzamide
CID 100625475
N-[3-(dimethylsulfamoyl)phenyl]-3-nitrobenzamide
CID 9093681
methyl 3-[[4-(dimethylsulfamoyl)benzoyl]amino]benzoate
CID 2676546
N-[3-(dimethylsulfamoyl)phenyl]-5-iodothiophene-3-carboxamide
CID 78949623
N-(3-bromophenyl)-3-(dimethylsulfamoyl)benzamide
CID 2221562
3-(dimethylsulfamoyl)-N-[3-[methyl(methylsulfonyl)amino]phenyl]benzamide
CID 100624777
N-(3-ethylphenyl)-4-methylsulfonylbenzamide
CID 26880057
N-[3-[[acetyl(methyl)amino]methyl]phenyl]-4-methylsulfonylbenzamide
CID 38585176
N-[3-(dimethylsulfamoyl)phenyl]-4-[[(E)-2-phenylethenyl]sulfonylamino]benzamide
CID 6218294
2-bromo-N-[3-(dimethylsulfamoyl)phenyl]furan-3-carboxamide
CID 106852841

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylsulfamoyl)phenyl]-4-methylsulfonylbenzamide?
The IUPAC name of N-[3-(dimethylsulfamoyl)phenyl]-4-methylsulfonylbenzamide (CID 9093665) is N-[3-(dimethylsulfamoyl)phenyl]-4-methylsulfonylbenzamide.
What is the SMILES notation for N-[3-(dimethylsulfamoyl)phenyl]-4-methylsulfonylbenzamide?
The canonical SMILES for N-[3-(dimethylsulfamoyl)phenyl]-4-methylsulfonylbenzamide is CN(C)S(=O)(=O)c1cccc(NC(=O)c2ccc(S(C)(=O)=O)cc2)c1.
What is the InChIKey of N-[3-(dimethylsulfamoyl)phenyl]-4-methylsulfonylbenzamide?
The InChIKey is MHGQVIFXGPNFQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O5S2/c1-18(2)25(22,23)15-6-4-5-13(11-15)17-16(19)12-7-9-14(10-8-12)24(3,20)21/h4-11H,1-3H3,(H,17,19).
What are the key properties of N-[3-(dimethylsulfamoyl)phenyl]-4-methylsulfonylbenzamide?
N-[3-(dimethylsulfamoyl)phenyl]-4-methylsulfonylbenzamide has a molecular weight of 382.46 g/mol, XLogP of 1.59, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylsulfamoyl)phenyl]-4-methylsulfonylbenzamide is sourced from PubChem (CID 9093665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).