3-(butan-2-ylsulfamoyl)-N-tert-butylbenzamide

C15H24N2O3S — CID 109062923

IUPAC3-(butan-2-ylsulfamoyl)-N-tert-butylbenzamide
SMILESCCC(C)NS(=O)(=O)c1cccc(C(=O)NC(C)(C)C)c1
InChIInChI=1S/C15H24N2O3S/c1-6-11(2)17-21(19,20)13-9-7-8-12(10-13)14(18)16-15(3,4)5/h7-11,17H,6H2,1-5H3,(H,16,18)
InChIKeySNUBBUZJUGLREG-UHFFFAOYSA-N
MW312.44 g/mol
LogP2.29
Rot. Bonds5

About 3-(butan-2-ylsulfamoyl)-N-tert-butylbenzamide

3-(butan-2-ylsulfamoyl)-N-tert-butylbenzamide (PubChem CID 109062923) has the molecular formula C15H24N2O3S and a molecular weight of 312.44 g/mol. Its IUPAC name is 3-(butan-2-ylsulfamoyl)-N-tert-butylbenzamide.

Molecular Properties

Compound Name3-(butan-2-ylsulfamoyl)-N-tert-butylbenzamide
PubChem CID109062923
Molecular FormulaC15H24N2O3S
Molecular Weight312.44 g/mol
Exact Mass312.15
IUPAC Name3-(butan-2-ylsulfamoyl)-N-tert-butylbenzamide
SMILESCCC(C)NS(=O)(=O)c1cccc(C(=O)NC(C)(C)C)c1
InChIInChI=1S/C15H24N2O3S/c1-6-11(2)17-21(19,20)13-9-7-8-12(10-13)14(18)16-15(3,4)5/h7-11,17H,6H2,1-5H3,(H,16,18)
InChIKeySNUBBUZJUGLREG-UHFFFAOYSA-N
XLogP2.29
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(butan-2-ylsulfamoyl)-N-butylbenzamide
CID 109062541
N-(4-acetylphenyl)-3-(butan-2-ylsulfamoyl)benzamide
CID 109062983
3-(butan-2-ylsulfamoyl)-N-(2,4,6-trimethylphenyl)benzamide
CID 109062953
3-(butan-2-ylsulfamoyl)benzenecarbothioamide
CID 24711607
3-(4-methylpentan-2-ylsulfamoyl)benzoic acid
CID 43372085
N-tert-butyl-3-(tribromomethylsulfonyl)benzamide
CID 164778887
3-(butan-2-ylsulfamoyl)-N-[(4-fluorophenyl)methyl]benzamide
CID 109062897
N-tert-butyl-3-(prop-2-enylsulfamoyl)benzamide
CID 47127688
3-(heptan-2-ylsulfamoyl)benzoic acid
CID 43398472
3-(1-methoxypropan-2-ylsulfamoyl)benzoic acid
CID 16768421
N-pentan-2-yl-3-propanoylbenzenesulfonamide
CID 60872867
N-benzyl-3-(butan-2-ylsulfamoyl)-N-methylbenzamide
CID 109062895

Frequently Asked Questions

What is the IUPAC name of 3-(butan-2-ylsulfamoyl)-N-tert-butylbenzamide?
The IUPAC name of 3-(butan-2-ylsulfamoyl)-N-tert-butylbenzamide (CID 109062923) is 3-(butan-2-ylsulfamoyl)-N-tert-butylbenzamide.
What is the SMILES notation for 3-(butan-2-ylsulfamoyl)-N-tert-butylbenzamide?
The canonical SMILES for 3-(butan-2-ylsulfamoyl)-N-tert-butylbenzamide is CCC(C)NS(=O)(=O)c1cccc(C(=O)NC(C)(C)C)c1.
What is the InChIKey of 3-(butan-2-ylsulfamoyl)-N-tert-butylbenzamide?
The InChIKey is SNUBBUZJUGLREG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3S/c1-6-11(2)17-21(19,20)13-9-7-8-12(10-13)14(18)16-15(3,4)5/h7-11,17H,6H2,1-5H3,(H,16,18).
What are the key properties of 3-(butan-2-ylsulfamoyl)-N-tert-butylbenzamide?
3-(butan-2-ylsulfamoyl)-N-tert-butylbenzamide has a molecular weight of 312.44 g/mol, XLogP of 2.29, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(butan-2-ylsulfamoyl)-N-tert-butylbenzamide is sourced from PubChem (CID 109062923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).