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

C18H23F2NO3S — CID 55335313

IUPAC4-(difluoromethylsulfonyl)-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)benzamide
SMILESCC1(C)C2CCC1(C)C(NC(=O)c1ccc(S(=O)(=O)C(F)F)cc1)C2
InChIInChI=1S/C18H23F2NO3S/c1-17(2)12-8-9-18(17,3)14(10-12)21-15(22)11-4-6-13(7-5-11)25(23,24)16(19)20/h4-7,12,14,16H,8-10H2,1-3H3,(H,21,22)
InChIKeyDCTHVLSDKDXVPO-UHFFFAOYSA-N
MW371.45 g/mol
LogP3.63
Rot. Bonds4

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

4-(difluoromethylsulfonyl)-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)benzamide (PubChem CID 55335313) has the molecular formula C18H23F2NO3S and a molecular weight of 371.45 g/mol. Its IUPAC name is 4-(difluoromethylsulfonyl)-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)benzamide.

Molecular Properties

Compound Name4-(difluoromethylsulfonyl)-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)benzamide
PubChem CID55335313
Molecular FormulaC18H23F2NO3S
Molecular Weight371.45 g/mol
Exact Mass371.14
IUPAC Name4-(difluoromethylsulfonyl)-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)benzamide
SMILESCC1(C)C2CCC1(C)C(NC(=O)c1ccc(S(=O)(=O)C(F)F)cc1)C2
InChIInChI=1S/C18H23F2NO3S/c1-17(2)12-8-9-18(17,3)14(10-12)21-15(22)11-4-6-13(7-5-11)25(23,24)16(19)20/h4-7,12,14,16H,8-10H2,1-3H3,(H,21,22)
InChIKeyDCTHVLSDKDXVPO-UHFFFAOYSA-N
XLogP3.63
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.45
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(dimethylsulfamoyl)-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)benzamide
CID 55335277
4-fluoro-N-[(1R,2S,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]benzamide
CID 892493
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
4-pyrazol-1-yl-N-[(1R,2S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]benzamide
CID 98641400
N-(2,2,2-trifluoroethyl)-4-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)sulfamoyl]benzamide
CID 55353239
5-bromo-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)thiophene-3-carboxamide
CID 55026651
9,10,10-trioxo-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)thioxanthene-3-carboxamide
CID 3965714
1-[(4-cyanobenzoyl)amino]-3-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)urea
CID 49124609
4-(difluoromethylsulfonyl)-N-piperidin-4-ylbenzamide;hydrochloride
CID 119387742
N-[4-[[(1R,2S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]sulfamoyl]phenyl]acetamide
CID 23308718

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethylsulfonyl)-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)benzamide?
The IUPAC name of 4-(difluoromethylsulfonyl)-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)benzamide (CID 55335313) is 4-(difluoromethylsulfonyl)-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)benzamide.
What is the SMILES notation for 4-(difluoromethylsulfonyl)-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)benzamide?
The canonical SMILES for 4-(difluoromethylsulfonyl)-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)benzamide is CC1(C)C2CCC1(C)C(NC(=O)c1ccc(S(=O)(=O)C(F)F)cc1)C2.
What is the InChIKey of 4-(difluoromethylsulfonyl)-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)benzamide?
The InChIKey is DCTHVLSDKDXVPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23F2NO3S/c1-17(2)12-8-9-18(17,3)14(10-12)21-15(22)11-4-6-13(7-5-11)25(23,24)16(19)20/h4-7,12,14,16H,8-10H2,1-3H3,(H,21,22).
What are the key properties of 4-(difluoromethylsulfonyl)-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)benzamide?
4-(difluoromethylsulfonyl)-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)benzamide has a molecular weight of 371.45 g/mol, XLogP of 3.63, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethylsulfonyl)-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)benzamide is sourced from PubChem (CID 55335313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).