4-(dimethylsulfamoyl)-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)benzamide

C19H28N2O3S — CID 55335277

IUPAC4-(dimethylsulfamoyl)-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)benzamide
SMILESCN(C)S(=O)(=O)c1ccc(C(=O)NC2CC3CCC2(C)C3(C)C)cc1
InChIInChI=1S/C19H28N2O3S/c1-18(2)14-10-11-19(18,3)16(12-14)20-17(22)13-6-8-15(9-7-13)25(23,24)21(4)5/h6-9,14,16H,10-12H2,1-5H3,(H,20,22)
InChIKeyKLPXLUJXLZXDRV-UHFFFAOYSA-N
MW364.51 g/mol
LogP2.88
Rot. Bonds4

About 4-(dimethylsulfamoyl)-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)benzamide

4-(dimethylsulfamoyl)-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)benzamide (PubChem CID 55335277) has the molecular formula C19H28N2O3S and a molecular weight of 364.51 g/mol. Its IUPAC name is 4-(dimethylsulfamoyl)-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)benzamide.

Molecular Properties

Compound Name4-(dimethylsulfamoyl)-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)benzamide
PubChem CID55335277
Molecular FormulaC19H28N2O3S
Molecular Weight364.51 g/mol
Exact Mass364.18
IUPAC Name4-(dimethylsulfamoyl)-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)benzamide
SMILESCN(C)S(=O)(=O)c1ccc(C(=O)NC2CC3CCC2(C)C3(C)C)cc1
InChIInChI=1S/C19H28N2O3S/c1-18(2)14-10-11-19(18,3)16(12-14)20-17(22)13-6-8-15(9-7-13)25(23,24)21(4)5/h6-9,14,16H,10-12H2,1-5H3,(H,20,22)
InChIKeyKLPXLUJXLZXDRV-UHFFFAOYSA-N
XLogP2.88
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.51
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(difluoromethylsulfonyl)-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)benzamide
CID 55335313
4-iodo-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)benzamide
CID 60629735
3-bromo-4-fluoro-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)benzamide
CID 107951700
N-[(1R,2S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]-1H-indole-6-carboxamide
CID 98785961
1-[(4-cyanobenzoyl)amino]-3-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)urea
CID 49124609
9,10,10-trioxo-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)thioxanthene-3-carboxamide
CID 3965714
N-[(1R,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]quinoxaline-2-carboxamide
CID 22956895
N-methyl-4-[[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]methyl]benzamide
CID 78849595
2,4-dibromo-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)benzamide
CID 107951697
4-methylsulfonyl-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)benzenesulfonamide
CID 60540246
N-(2,3-dimethylcyclohexyl)-4-(dimethylsulfamoyl)benzamide
CID 17388431
N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-4-(dimethylsulfamoyl)benzamide
CID 26797148

Frequently Asked Questions

What is the IUPAC name of 4-(dimethylsulfamoyl)-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)benzamide?
The IUPAC name of 4-(dimethylsulfamoyl)-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)benzamide (CID 55335277) is 4-(dimethylsulfamoyl)-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)benzamide.
What is the SMILES notation for 4-(dimethylsulfamoyl)-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)benzamide?
The canonical SMILES for 4-(dimethylsulfamoyl)-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)benzamide is CN(C)S(=O)(=O)c1ccc(C(=O)NC2CC3CCC2(C)C3(C)C)cc1.
What is the InChIKey of 4-(dimethylsulfamoyl)-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)benzamide?
The InChIKey is KLPXLUJXLZXDRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O3S/c1-18(2)14-10-11-19(18,3)16(12-14)20-17(22)13-6-8-15(9-7-13)25(23,24)21(4)5/h6-9,14,16H,10-12H2,1-5H3,(H,20,22).
What are the key properties of 4-(dimethylsulfamoyl)-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)benzamide?
4-(dimethylsulfamoyl)-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)benzamide has a molecular weight of 364.51 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylsulfamoyl)-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)benzamide is sourced from PubChem (CID 55335277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).