3-(cyclopropylsulfamoyl)-4-fluoro-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide

C20H21FN2O3S — CID 55581388

IUPAC3-(cyclopropylsulfamoyl)-4-fluoro-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide
SMILESO=C(NC1CCCc2ccccc21)c1ccc(F)c(S(=O)(=O)NC2CC2)c1
InChIInChI=1S/C20H21FN2O3S/c21-17-11-8-14(12-19(17)27(25,26)23-15-9-10-15)20(24)22-18-7-3-5-13-4-1-2-6-16(13)18/h1-2,4,6,8,11-12,15,18,23H,3,5,7,9-10H2,(H,22,24)
InChIKeyCTUZYUAGSIUNHW-UHFFFAOYSA-N
MW388.46 g/mol
LogP3.07
Rot. Bonds5

About 3-(cyclopropylsulfamoyl)-4-fluoro-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide

3-(cyclopropylsulfamoyl)-4-fluoro-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide (PubChem CID 55581388) has the molecular formula C20H21FN2O3S and a molecular weight of 388.46 g/mol. Its IUPAC name is 3-(cyclopropylsulfamoyl)-4-fluoro-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide.

Molecular Properties

Compound Name3-(cyclopropylsulfamoyl)-4-fluoro-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide
PubChem CID55581388
Molecular FormulaC20H21FN2O3S
Molecular Weight388.46 g/mol
Exact Mass388.13
IUPAC Name3-(cyclopropylsulfamoyl)-4-fluoro-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide
SMILESO=C(NC1CCCc2ccccc21)c1ccc(F)c(S(=O)(=O)NC2CC2)c1
InChIInChI=1S/C20H21FN2O3S/c21-17-11-8-14(12-19(17)27(25,26)23-15-9-10-15)20(24)22-18-7-3-5-13-4-1-2-6-16(13)18/h1-2,4,6,8,11-12,15,18,23H,3,5,7,9-10H2,(H,22,24)
InChIKeyCTUZYUAGSIUNHW-UHFFFAOYSA-N
XLogP3.07
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.46
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-fluoro-3-piperidin-1-ylsulfonyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 2450774
N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]naphthalene-2-carboxamide
CID 7688440
3-fluoro-4-methoxy-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 32745617
2-fluoro-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzenesulfonamide
CID 3325789
2,3,4,5,6-pentafluoro-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide
CID 71474180
3,5-dichloro-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 7428902
2,5-difluoro-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 27184099
4-(phenylsulfamoyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide
CID 42992525
4-bromo-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 2450710
4-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzene-1,4-dicarboxamide
CID 42916066
4-methoxy-3-(propylsulfamoyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide
CID 43873999
N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-1H-indole-6-carboxamide
CID 39705283

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropylsulfamoyl)-4-fluoro-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide?
The IUPAC name of 3-(cyclopropylsulfamoyl)-4-fluoro-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide (CID 55581388) is 3-(cyclopropylsulfamoyl)-4-fluoro-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide.
What is the SMILES notation for 3-(cyclopropylsulfamoyl)-4-fluoro-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide?
The canonical SMILES for 3-(cyclopropylsulfamoyl)-4-fluoro-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide is O=C(NC1CCCc2ccccc21)c1ccc(F)c(S(=O)(=O)NC2CC2)c1.
What is the InChIKey of 3-(cyclopropylsulfamoyl)-4-fluoro-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide?
The InChIKey is CTUZYUAGSIUNHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN2O3S/c21-17-11-8-14(12-19(17)27(25,26)23-15-9-10-15)20(24)22-18-7-3-5-13-4-1-2-6-16(13)18/h1-2,4,6,8,11-12,15,18,23H,3,5,7,9-10H2,(H,22,24).
What are the key properties of 3-(cyclopropylsulfamoyl)-4-fluoro-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide?
3-(cyclopropylsulfamoyl)-4-fluoro-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide has a molecular weight of 388.46 g/mol, XLogP of 3.07, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropylsulfamoyl)-4-fluoro-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide is sourced from PubChem (CID 55581388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).