4-chloro-3-(diethylsulfamoyl)-N-(3-methylsulfanylphenyl)benzamide

C18H21ClN2O3S2 — CID 2665643

IUPAC4-chloro-3-(diethylsulfamoyl)-N-(3-methylsulfanylphenyl)benzamide
SMILESCCN(CC)S(=O)(=O)c1cc(C(=O)Nc2cccc(SC)c2)ccc1Cl
InChIInChI=1S/C18H21ClN2O3S2/c1-4-21(5-2)26(23,24)17-11-13(9-10-16(17)19)18(22)20-14-7-6-8-15(12-14)25-3/h6-12H,4-5H2,1-3H3,(H,20,22)
InChIKeySTDYSGXAAGOXMA-UHFFFAOYSA-N
MW412.96 g/mol
LogP4.34
Rot. Bonds7

About 4-chloro-3-(diethylsulfamoyl)-N-(3-methylsulfanylphenyl)benzamide

4-chloro-3-(diethylsulfamoyl)-N-(3-methylsulfanylphenyl)benzamide (PubChem CID 2665643) has the molecular formula C18H21ClN2O3S2 and a molecular weight of 412.96 g/mol. Its IUPAC name is 4-chloro-3-(diethylsulfamoyl)-N-(3-methylsulfanylphenyl)benzamide.

Molecular Properties

Compound Name4-chloro-3-(diethylsulfamoyl)-N-(3-methylsulfanylphenyl)benzamide
PubChem CID2665643
Molecular FormulaC18H21ClN2O3S2
Molecular Weight412.96 g/mol
Exact Mass412.07
IUPAC Name4-chloro-3-(diethylsulfamoyl)-N-(3-methylsulfanylphenyl)benzamide
SMILESCCN(CC)S(=O)(=O)c1cc(C(=O)Nc2cccc(SC)c2)ccc1Cl
InChIInChI=1S/C18H21ClN2O3S2/c1-4-21(5-2)26(23,24)17-11-13(9-10-16(17)19)18(22)20-14-7-6-8-15(12-14)25-3/h6-12H,4-5H2,1-3H3,(H,20,22)
InChIKeySTDYSGXAAGOXMA-UHFFFAOYSA-N
XLogP4.34
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.96
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-tert-butylphenyl)-4-chloro-3-(diethylsulfamoyl)benzamide
CID 7914188
4-chloro-3-(4-methylpiperazin-1-yl)sulfonyl-N-(3-methylsulfanylphenyl)benzamide
CID 99969227
4-(aminomethyl)-N-[4-chloro-3-(diethylsulfamoyl)phenyl]benzamide
CID 119266237
N-[3-[[4-chloro-3-(diethylsulfamoyl)phenyl]carbamoyl]phenyl]pyridine-3-carboxamide
CID 55630897
N-[4-chloro-3-(diethylsulfamoyl)phenyl]-3-cyanobenzamide
CID 9101511
4-chloro-3-(diethylsulfamoyl)-N-(1H-pyrazol-4-yl)benzamide
CID 52680605
4-chloro-3-(diethylsulfamoyl)-N-[3-[(2-oxopiperidin-1-yl)methyl]phenyl]benzamide
CID 47088014
3-(diethylsulfamoyl)-4-methyl-N-(3-methylphenyl)benzamide
CID 2540395
N-[4-chloro-3-(diethylsulfamoyl)phenyl]-3-(cyanomethyl)benzamide
CID 78884488
4-chloro-N-[3-chloro-4-(cyclopropylcarbamoyl)phenyl]-3-(diethylsulfamoyl)benzamide
CID 55805492
4-chloro-3-(diethylsulfamoyl)-N-(2-propan-2-ylphenyl)benzamide
CID 2678518
N-(2-benzamidoethyl)-4-chloro-3-(diethylsulfamoyl)benzamide
CID 38202373

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-(diethylsulfamoyl)-N-(3-methylsulfanylphenyl)benzamide?
The IUPAC name of 4-chloro-3-(diethylsulfamoyl)-N-(3-methylsulfanylphenyl)benzamide (CID 2665643) is 4-chloro-3-(diethylsulfamoyl)-N-(3-methylsulfanylphenyl)benzamide.
What is the SMILES notation for 4-chloro-3-(diethylsulfamoyl)-N-(3-methylsulfanylphenyl)benzamide?
The canonical SMILES for 4-chloro-3-(diethylsulfamoyl)-N-(3-methylsulfanylphenyl)benzamide is CCN(CC)S(=O)(=O)c1cc(C(=O)Nc2cccc(SC)c2)ccc1Cl.
What is the InChIKey of 4-chloro-3-(diethylsulfamoyl)-N-(3-methylsulfanylphenyl)benzamide?
The InChIKey is STDYSGXAAGOXMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2O3S2/c1-4-21(5-2)26(23,24)17-11-13(9-10-16(17)19)18(22)20-14-7-6-8-15(12-14)25-3/h6-12H,4-5H2,1-3H3,(H,20,22).
What are the key properties of 4-chloro-3-(diethylsulfamoyl)-N-(3-methylsulfanylphenyl)benzamide?
4-chloro-3-(diethylsulfamoyl)-N-(3-methylsulfanylphenyl)benzamide has a molecular weight of 412.96 g/mol, XLogP of 4.34, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-(diethylsulfamoyl)-N-(3-methylsulfanylphenyl)benzamide is sourced from PubChem (CID 2665643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).