N-tert-butyl-2-chloro-5-(propan-2-ylsulfamoyl)benzamide

C14H21ClN2O3S — CID 51285596

IUPACN-tert-butyl-2-chloro-5-(propan-2-ylsulfamoyl)benzamide
SMILESCC(C)NS(=O)(=O)c1ccc(Cl)c(C(=O)NC(C)(C)C)c1
InChIInChI=1S/C14H21ClN2O3S/c1-9(2)17-21(19,20)10-6-7-12(15)11(8-10)13(18)16-14(3,4)5/h6-9,17H,1-5H3,(H,16,18)
InChIKeyJSJXGZSKRAUJFY-UHFFFAOYSA-N
MW332.85 g/mol
LogP2.56
Rot. Bonds4

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

N-tert-butyl-2-chloro-5-(propan-2-ylsulfamoyl)benzamide (PubChem CID 51285596) has the molecular formula C14H21ClN2O3S and a molecular weight of 332.85 g/mol. Its IUPAC name is N-tert-butyl-2-chloro-5-(propan-2-ylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-tert-butyl-2-chloro-5-(propan-2-ylsulfamoyl)benzamide
PubChem CID51285596
Molecular FormulaC14H21ClN2O3S
Molecular Weight332.85 g/mol
Exact Mass332.10
IUPAC NameN-tert-butyl-2-chloro-5-(propan-2-ylsulfamoyl)benzamide
SMILESCC(C)NS(=O)(=O)c1ccc(Cl)c(C(=O)NC(C)(C)C)c1
InChIInChI=1S/C14H21ClN2O3S/c1-9(2)17-21(19,20)10-6-7-12(15)11(8-10)13(18)16-14(3,4)5/h6-9,17H,1-5H3,(H,16,18)
InChIKeyJSJXGZSKRAUJFY-UHFFFAOYSA-N
XLogP2.56
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.85
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-tert-butylphenyl)-2-chloro-5-(propan-2-ylsulfamoyl)benzamide
CID 34756542
2-chloro-N-methoxy-5-(propan-2-ylsulfamoyl)benzamide
CID 51316610
2-chloro-N-cyclohexyl-5-(propan-2-ylsulfamoyl)benzamide
CID 51160947
2-chloro-N-[2-(ethylamino)-2-oxoethyl]-5-(propan-2-ylsulfamoyl)benzamide
CID 55406988
N-tert-butyl-2-chloro-5-(diethylsulfamoyl)benzamide
CID 2404438
2-chloro-5-(propan-2-ylsulfamoyl)-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
CID 27052685
4-chloro-3-methyl-N-propan-2-ylbenzenesulfonamide
CID 39845241
3-bromo-4-chloro-N-propan-2-ylbenzenesulfonamide
CID 106545028
4-[[(2,5-dichlorobenzoyl)amino]carbamoyl]-N-propan-2-ylbenzenesulfonamide
CID 24634435
methyl 3-(4-chlorophenyl)-3-[[2-chloro-5-(propan-2-ylsulfamoyl)benzoyl]amino]propanoate
CID 55439490
2-chloro-N-(1,1-diphenylethyl)-5-(methylsulfamoyl)benzamide
CID 56523646
2-chloro-N-(5-phenyl-1,3,4-thiadiazol-2-yl)-5-(propan-2-ylsulfamoyl)benzamide
CID 24649213

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-chloro-5-(propan-2-ylsulfamoyl)benzamide?
The IUPAC name of N-tert-butyl-2-chloro-5-(propan-2-ylsulfamoyl)benzamide (CID 51285596) is N-tert-butyl-2-chloro-5-(propan-2-ylsulfamoyl)benzamide.
What is the SMILES notation for N-tert-butyl-2-chloro-5-(propan-2-ylsulfamoyl)benzamide?
The canonical SMILES for N-tert-butyl-2-chloro-5-(propan-2-ylsulfamoyl)benzamide is CC(C)NS(=O)(=O)c1ccc(Cl)c(C(=O)NC(C)(C)C)c1.
What is the InChIKey of N-tert-butyl-2-chloro-5-(propan-2-ylsulfamoyl)benzamide?
The InChIKey is JSJXGZSKRAUJFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O3S/c1-9(2)17-21(19,20)10-6-7-12(15)11(8-10)13(18)16-14(3,4)5/h6-9,17H,1-5H3,(H,16,18).
What are the key properties of N-tert-butyl-2-chloro-5-(propan-2-ylsulfamoyl)benzamide?
N-tert-butyl-2-chloro-5-(propan-2-ylsulfamoyl)benzamide has a molecular weight of 332.85 g/mol, XLogP of 2.56, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-chloro-5-(propan-2-ylsulfamoyl)benzamide is sourced from PubChem (CID 51285596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).