N-[3-(dimethylsulfamoyl)phenyl]-2-methylsulfanylbenzamide

C16H18N2O3S2 — CID 17457217

IUPACN-[3-(dimethylsulfamoyl)phenyl]-2-methylsulfanylbenzamide
SMILESCSc1ccccc1C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1
InChIInChI=1S/C16H18N2O3S2/c1-18(2)23(20,21)13-8-6-7-12(11-13)17-16(19)14-9-4-5-10-15(14)22-3/h4-11H,1-3H3,(H,17,19)
InChIKeyLKQXVKJDOLRGRC-UHFFFAOYSA-N
MW350.47 g/mol
LogP2.91
Rot. Bonds5

About N-[3-(dimethylsulfamoyl)phenyl]-2-methylsulfanylbenzamide

N-[3-(dimethylsulfamoyl)phenyl]-2-methylsulfanylbenzamide (PubChem CID 17457217) has the molecular formula C16H18N2O3S2 and a molecular weight of 350.47 g/mol. Its IUPAC name is N-[3-(dimethylsulfamoyl)phenyl]-2-methylsulfanylbenzamide.

Molecular Properties

Compound NameN-[3-(dimethylsulfamoyl)phenyl]-2-methylsulfanylbenzamide
PubChem CID17457217
Molecular FormulaC16H18N2O3S2
Molecular Weight350.47 g/mol
Exact Mass350.08
IUPAC NameN-[3-(dimethylsulfamoyl)phenyl]-2-methylsulfanylbenzamide
SMILESCSc1ccccc1C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1
InChIInChI=1S/C16H18N2O3S2/c1-18(2)23(20,21)13-8-6-7-12(11-13)17-16(19)14-9-4-5-10-15(14)22-3/h4-11H,1-3H3,(H,17,19)
InChIKeyLKQXVKJDOLRGRC-UHFFFAOYSA-N
XLogP2.91
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.47
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(dimethylsulfamoyl)phenyl]naphthalene-1-carboxamide
CID 26654058
N-[3-[methyl(methylsulfonyl)amino]phenyl]-2-methylsulfanylbenzamide
CID 1252494
5-chloro-N-[3-(dimethylsulfamoyl)phenyl]-2-fluorobenzamide
CID 9077073
N-[3-(dimethylsulfamoyl)phenyl]-2,4,5-trimethoxybenzamide
CID 9093791
2-bromo-N-[3-(dimethylsulfamoyl)phenyl]furan-3-carboxamide
CID 106852841
(2R)-N-[3-(dimethylsulfamoyl)phenyl]-2-(2-fluorophenyl)sulfanylpropanamide
CID 7964995
N-(3-ethylphenyl)-2-methylsulfanylbenzamide
CID 2591348
N-[3-(dimethylsulfamoyl)phenyl]-2-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]benzamide
CID 36753836
N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-methylsulfanylbenzamide
CID 26521121
methyl 3-[(2-methylsulfanylbenzoyl)amino]benzoate
CID 2676410
N-[3-(dimethylsulfamoyl)phenyl]-4-methylsulfonylbenzamide
CID 9093665
N-(3-ethynylphenyl)-2-methylsulfanylbenzamide
CID 24676261

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylsulfamoyl)phenyl]-2-methylsulfanylbenzamide?
The IUPAC name of N-[3-(dimethylsulfamoyl)phenyl]-2-methylsulfanylbenzamide (CID 17457217) is N-[3-(dimethylsulfamoyl)phenyl]-2-methylsulfanylbenzamide.
What is the SMILES notation for N-[3-(dimethylsulfamoyl)phenyl]-2-methylsulfanylbenzamide?
The canonical SMILES for N-[3-(dimethylsulfamoyl)phenyl]-2-methylsulfanylbenzamide is CSc1ccccc1C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1.
What is the InChIKey of N-[3-(dimethylsulfamoyl)phenyl]-2-methylsulfanylbenzamide?
The InChIKey is LKQXVKJDOLRGRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3S2/c1-18(2)23(20,21)13-8-6-7-12(11-13)17-16(19)14-9-4-5-10-15(14)22-3/h4-11H,1-3H3,(H,17,19).
What are the key properties of N-[3-(dimethylsulfamoyl)phenyl]-2-methylsulfanylbenzamide?
N-[3-(dimethylsulfamoyl)phenyl]-2-methylsulfanylbenzamide has a molecular weight of 350.47 g/mol, XLogP of 2.91, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylsulfamoyl)phenyl]-2-methylsulfanylbenzamide is sourced from PubChem (CID 17457217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).