N-(4-tert-butylphenyl)-2-chloro-5-(propan-2-ylsulfamoyl)benzamide

C20H25ClN2O3S — CID 34756542

IUPACN-(4-tert-butylphenyl)-2-chloro-5-(propan-2-ylsulfamoyl)benzamide
SMILESCC(C)NS(=O)(=O)c1ccc(Cl)c(C(=O)Nc2ccc(C(C)(C)C)cc2)c1
InChIInChI=1S/C20H25ClN2O3S/c1-13(2)23-27(25,26)16-10-11-18(21)17(12-16)19(24)22-15-8-6-14(7-9-15)20(3,4)5/h6-13,23H,1-5H3,(H,22,24)
InChIKeyJKIQBPZNVQISHJ-UHFFFAOYSA-N
MW408.95 g/mol
LogP4.58
Rot. Bonds5

About N-(4-tert-butylphenyl)-2-chloro-5-(propan-2-ylsulfamoyl)benzamide

N-(4-tert-butylphenyl)-2-chloro-5-(propan-2-ylsulfamoyl)benzamide (PubChem CID 34756542) has the molecular formula C20H25ClN2O3S and a molecular weight of 408.95 g/mol. Its IUPAC name is N-(4-tert-butylphenyl)-2-chloro-5-(propan-2-ylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-(4-tert-butylphenyl)-2-chloro-5-(propan-2-ylsulfamoyl)benzamide
PubChem CID34756542
Molecular FormulaC20H25ClN2O3S
Molecular Weight408.95 g/mol
Exact Mass408.13
IUPAC NameN-(4-tert-butylphenyl)-2-chloro-5-(propan-2-ylsulfamoyl)benzamide
SMILESCC(C)NS(=O)(=O)c1ccc(Cl)c(C(=O)Nc2ccc(C(C)(C)C)cc2)c1
InChIInChI=1S/C20H25ClN2O3S/c1-13(2)23-27(25,26)16-10-11-18(21)17(12-16)19(24)22-15-8-6-14(7-9-15)20(3,4)5/h6-13,23H,1-5H3,(H,22,24)
InChIKeyJKIQBPZNVQISHJ-UHFFFAOYSA-N
XLogP4.58
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.95
LogP ≤ 54.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(4-tert-butylphenyl)-2-chloro-5-(propan-2-ylsulfamoyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-tert-butyl-2-chloro-5-(propan-2-ylsulfamoyl)benzamide
CID 51285596
2-chloro-N-(4-cyclopentylsulfanylphenyl)-5-(propan-2-ylsulfamoyl)benzamide
CID 46598242
N-(3-acetamido-4-methoxyphenyl)-2-chloro-5-(propan-2-ylsulfamoyl)benzamide
CID 24666791
N-(4-tert-butylphenyl)-2-[(3,4-dichlorophenyl)sulfonylamino]-3-hydroxybutanamide
CID 42924513
2-chloro-N-methoxy-5-(propan-2-ylsulfamoyl)benzamide
CID 51316610
N-[4-(1H-benzimidazol-2-yl)phenyl]-2-chloro-5-(propan-2-ylsulfamoyl)benzamide
CID 24659572
4-chloro-N-[4-(propan-2-ylsulfamoyl)phenyl]benzamide
CID 4924513
2-chloro-5-(propan-2-ylsulfamoyl)-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
CID 27052685
N-[4-chloro-3-(methylsulfinylmethyl)phenyl]-2-fluoro-5-(propan-2-ylsulfamoyl)benzamide
CID 86956514
2-chloro-N-cyclohexyl-5-(propan-2-ylsulfamoyl)benzamide
CID 51160947
N-(4-acetamidophenyl)-4-(propan-2-ylsulfamoyl)benzamide
CID 27648936
2-chloro-N-[2-(ethylamino)-2-oxoethyl]-5-(propan-2-ylsulfamoyl)benzamide
CID 55406988

Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butylphenyl)-2-chloro-5-(propan-2-ylsulfamoyl)benzamide?
The IUPAC name of N-(4-tert-butylphenyl)-2-chloro-5-(propan-2-ylsulfamoyl)benzamide (CID 34756542) is N-(4-tert-butylphenyl)-2-chloro-5-(propan-2-ylsulfamoyl)benzamide.
What is the SMILES notation for N-(4-tert-butylphenyl)-2-chloro-5-(propan-2-ylsulfamoyl)benzamide?
The canonical SMILES for N-(4-tert-butylphenyl)-2-chloro-5-(propan-2-ylsulfamoyl)benzamide is CC(C)NS(=O)(=O)c1ccc(Cl)c(C(=O)Nc2ccc(C(C)(C)C)cc2)c1.
What is the InChIKey of N-(4-tert-butylphenyl)-2-chloro-5-(propan-2-ylsulfamoyl)benzamide?
The InChIKey is JKIQBPZNVQISHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25ClN2O3S/c1-13(2)23-27(25,26)16-10-11-18(21)17(12-16)19(24)22-15-8-6-14(7-9-15)20(3,4)5/h6-13,23H,1-5H3,(H,22,24).
What are the key properties of N-(4-tert-butylphenyl)-2-chloro-5-(propan-2-ylsulfamoyl)benzamide?
N-(4-tert-butylphenyl)-2-chloro-5-(propan-2-ylsulfamoyl)benzamide has a molecular weight of 408.95 g/mol, XLogP of 4.58, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butylphenyl)-2-chloro-5-(propan-2-ylsulfamoyl)benzamide is sourced from PubChem (CID 34756542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).