3-(tert-butylsulfamoyl)-4-chloro-N-(3-chloro-4-cyanophenyl)benzamide

C18H17Cl2N3O3S — CID 30245415

IUPAC3-(tert-butylsulfamoyl)-4-chloro-N-(3-chloro-4-cyanophenyl)benzamide
SMILESCC(C)(C)NS(=O)(=O)c1cc(C(=O)Nc2ccc(C#N)c(Cl)c2)ccc1Cl
InChIInChI=1S/C18H17Cl2N3O3S/c1-18(2,3)23-27(25,26)16-8-11(5-7-14(16)19)17(24)22-13-6-4-12(10-21)15(20)9-13/h4-9,23H,1-3H3,(H,22,24)
InChIKeyLAJAUZFQGUWTAE-UHFFFAOYSA-N
MW426.33 g/mol
LogP4.19
Rot. Bonds4

About 3-(tert-butylsulfamoyl)-4-chloro-N-(3-chloro-4-cyanophenyl)benzamide

3-(tert-butylsulfamoyl)-4-chloro-N-(3-chloro-4-cyanophenyl)benzamide (PubChem CID 30245415) has the molecular formula C18H17Cl2N3O3S and a molecular weight of 426.33 g/mol. Its IUPAC name is 3-(tert-butylsulfamoyl)-4-chloro-N-(3-chloro-4-cyanophenyl)benzamide.

Molecular Properties

Compound Name3-(tert-butylsulfamoyl)-4-chloro-N-(3-chloro-4-cyanophenyl)benzamide
PubChem CID30245415
Molecular FormulaC18H17Cl2N3O3S
Molecular Weight426.33 g/mol
Exact Mass425.04
IUPAC Name3-(tert-butylsulfamoyl)-4-chloro-N-(3-chloro-4-cyanophenyl)benzamide
SMILESCC(C)(C)NS(=O)(=O)c1cc(C(=O)Nc2ccc(C#N)c(Cl)c2)ccc1Cl
InChIInChI=1S/C18H17Cl2N3O3S/c1-18(2,3)23-27(25,26)16-8-11(5-7-14(16)19)17(24)22-13-6-4-12(10-21)15(20)9-13/h4-9,23H,1-3H3,(H,22,24)
InChIKeyLAJAUZFQGUWTAE-UHFFFAOYSA-N
XLogP4.19
TPSA99.06 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.33
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-N-(3-chloro-4-cyanophenyl)-3-methylsulfonylbenzamide
CID 26699911
methyl 3-[[3-(tert-butylsulfamoyl)-4-chlorobenzoyl]amino]benzoate
CID 2529890
3-(tert-butylsulfamoyl)-4-chloro-N-(3,4-diethoxyphenyl)benzamide
CID 38207231
3-(tert-butylsulfamoyl)-4-chloro-N-[6-(dimethylamino)-3-pyridinyl]benzamide
CID 46462504
N-(3-chloro-4-cyanophenyl)-3-(dimethylsulfamoyl)-4-methoxybenzamide
CID 55339628
3-(tert-butylsulfamoyl)-4-chloro-N-[3-(cyclopropanecarbonylamino)phenyl]benzamide
CID 46584819
3-(tert-butylsulfamoyl)-4-chloro-N-(2,4-difluorophenyl)benzamide
CID 34827235
4-chloro-N-(3,4-dimethylphenyl)-3-[(3,4-dimethylphenyl)sulfamoyl]benzamide
CID 3525089
3-(tert-butylsulfamoyl)-4-chloro-N-propylbenzamide
CID 34827308
3-(tert-butylsulfamoyl)-4-chloro-N-(4-methyl-2-pyridinyl)benzamide
CID 35344934
N-(3-chloro-4-cyanophenyl)-4-phenylbenzamide
CID 2113579
N-(3-chloro-4-cyanophenyl)-1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide
CID 26700840

Frequently Asked Questions

What is the IUPAC name of 3-(tert-butylsulfamoyl)-4-chloro-N-(3-chloro-4-cyanophenyl)benzamide?
The IUPAC name of 3-(tert-butylsulfamoyl)-4-chloro-N-(3-chloro-4-cyanophenyl)benzamide (CID 30245415) is 3-(tert-butylsulfamoyl)-4-chloro-N-(3-chloro-4-cyanophenyl)benzamide.
What is the SMILES notation for 3-(tert-butylsulfamoyl)-4-chloro-N-(3-chloro-4-cyanophenyl)benzamide?
The canonical SMILES for 3-(tert-butylsulfamoyl)-4-chloro-N-(3-chloro-4-cyanophenyl)benzamide is CC(C)(C)NS(=O)(=O)c1cc(C(=O)Nc2ccc(C#N)c(Cl)c2)ccc1Cl.
What is the InChIKey of 3-(tert-butylsulfamoyl)-4-chloro-N-(3-chloro-4-cyanophenyl)benzamide?
The InChIKey is LAJAUZFQGUWTAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17Cl2N3O3S/c1-18(2,3)23-27(25,26)16-8-11(5-7-14(16)19)17(24)22-13-6-4-12(10-21)15(20)9-13/h4-9,23H,1-3H3,(H,22,24).
What are the key properties of 3-(tert-butylsulfamoyl)-4-chloro-N-(3-chloro-4-cyanophenyl)benzamide?
3-(tert-butylsulfamoyl)-4-chloro-N-(3-chloro-4-cyanophenyl)benzamide has a molecular weight of 426.33 g/mol, XLogP of 4.19, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(tert-butylsulfamoyl)-4-chloro-N-(3-chloro-4-cyanophenyl)benzamide is sourced from PubChem (CID 30245415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).