2-ethylsulfanyl-N-[(4-sulfamoylphenyl)methyl]benzamide

C16H18N2O3S2 — CID 2211720

IUPAC2-ethylsulfanyl-N-[(4-sulfamoylphenyl)methyl]benzamide
SMILESCCSc1ccccc1C(=O)NCc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C16H18N2O3S2/c1-2-22-15-6-4-3-5-14(15)16(19)18-11-12-7-9-13(10-8-12)23(17,20)21/h3-10H,2,11H2,1H3,(H,18,19)(H2,17,20,21)
InChIKeyIMDJKXHRDBKLFD-UHFFFAOYSA-N
MW350.47 g/mol
LogP2.38
Rot. Bonds6

About 2-ethylsulfanyl-N-[(4-sulfamoylphenyl)methyl]benzamide

2-ethylsulfanyl-N-[(4-sulfamoylphenyl)methyl]benzamide (PubChem CID 2211720) has the molecular formula C16H18N2O3S2 and a molecular weight of 350.47 g/mol. Its IUPAC name is 2-ethylsulfanyl-N-[(4-sulfamoylphenyl)methyl]benzamide.

Molecular Properties

Compound Name2-ethylsulfanyl-N-[(4-sulfamoylphenyl)methyl]benzamide
PubChem CID2211720
Molecular FormulaC16H18N2O3S2
Molecular Weight350.47 g/mol
Exact Mass350.08
IUPAC Name2-ethylsulfanyl-N-[(4-sulfamoylphenyl)methyl]benzamide
SMILESCCSc1ccccc1C(=O)NCc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C16H18N2O3S2/c1-2-22-15-6-4-3-5-14(15)16(19)18-11-12-7-9-13(10-8-12)23(17,20)21/h3-10H,2,11H2,1H3,(H,18,19)(H2,17,20,21)
InChIKeyIMDJKXHRDBKLFD-UHFFFAOYSA-N
XLogP2.38
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.47
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,6-Diflouro-Benzyl)-4-Sulfamoyl-Benzamide
CID 4288
N-(2-Flouro-Benzyl)-4-Sulfamoyl-Benzamide
CID 4290
N-(2,3,4,5,6-Pentaflouro-Benzyl)-4-Sulfamoyl-Benzamide
CID 445770
4-(Aminosulfonyl)-N-[(2,3,4-Trifluorophenyl)Methyl]-Benzamide
CID 446240
N-(2,3-Difluoro-benzyl)-4-sulfamoyl-benzamide
CID 1700
N-benzyl-4-sulfamoylbenzamide
CID 4347
4-(Aminosulfonyl)-N-((4-Fluorophenyl)Methyl)-Benzamide
CID 446237
1-benzyl-4-(2-(N-(4'-(benzylsulfonyl)benzoyl)-N-methylamino)ethyl)piperidine
CID 197239
N-methyl-4-sulfamoylbenzamide
CID 4093508
4-((1-(2-(2,4-Difluorophenyl)ethyl)-4-piperidinyl)sulfonyl)benzamide
CID 9953268
N-[2-(1-benzylpiperidin-4-yl)ethyl]-4-(benzylsulfonyl)-N-methylbenzamide Hydrochloride
CID 197240
Piperidine Derivative 22
CID 10029132

Frequently Asked Questions

What is the IUPAC name of 2-ethylsulfanyl-N-[(4-sulfamoylphenyl)methyl]benzamide?
The IUPAC name of 2-ethylsulfanyl-N-[(4-sulfamoylphenyl)methyl]benzamide (CID 2211720) is 2-ethylsulfanyl-N-[(4-sulfamoylphenyl)methyl]benzamide.
What is the SMILES notation for 2-ethylsulfanyl-N-[(4-sulfamoylphenyl)methyl]benzamide?
The canonical SMILES for 2-ethylsulfanyl-N-[(4-sulfamoylphenyl)methyl]benzamide is CCSc1ccccc1C(=O)NCc1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of 2-ethylsulfanyl-N-[(4-sulfamoylphenyl)methyl]benzamide?
The InChIKey is IMDJKXHRDBKLFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3S2/c1-2-22-15-6-4-3-5-14(15)16(19)18-11-12-7-9-13(10-8-12)23(17,20)21/h3-10H,2,11H2,1H3,(H,18,19)(H2,17,20,21).
What are the key properties of 2-ethylsulfanyl-N-[(4-sulfamoylphenyl)methyl]benzamide?
2-ethylsulfanyl-N-[(4-sulfamoylphenyl)methyl]benzamide has a molecular weight of 350.47 g/mol, XLogP of 2.38, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylsulfanyl-N-[(4-sulfamoylphenyl)methyl]benzamide is sourced from PubChem (CID 2211720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).