3-(tert-butylsulfamoyl)-4-chloro-N-[2-(3-fluorophenyl)ethyl]benzamide

C19H22ClFN2O3S — CID 35425596

IUPAC3-(tert-butylsulfamoyl)-4-chloro-N-[2-(3-fluorophenyl)ethyl]benzamide
SMILESCC(C)(C)NS(=O)(=O)c1cc(C(=O)NCCc2cccc(F)c2)ccc1Cl
InChIInChI=1S/C19H22ClFN2O3S/c1-19(2,3)23-27(25,26)17-12-14(7-8-16(17)20)18(24)22-10-9-13-5-4-6-15(21)11-13/h4-8,11-12,23H,9-10H2,1-3H3,(H,22,24)
InChIKeyIQPMCJMWRHHEMT-UHFFFAOYSA-N
MW412.91 g/mol
LogP3.53
Rot. Bonds6

About 3-(tert-butylsulfamoyl)-4-chloro-N-[2-(3-fluorophenyl)ethyl]benzamide

3-(tert-butylsulfamoyl)-4-chloro-N-[2-(3-fluorophenyl)ethyl]benzamide (PubChem CID 35425596) has the molecular formula C19H22ClFN2O3S and a molecular weight of 412.91 g/mol. Its IUPAC name is 3-(tert-butylsulfamoyl)-4-chloro-N-[2-(3-fluorophenyl)ethyl]benzamide.

Molecular Properties

Compound Name3-(tert-butylsulfamoyl)-4-chloro-N-[2-(3-fluorophenyl)ethyl]benzamide
PubChem CID35425596
Molecular FormulaC19H22ClFN2O3S
Molecular Weight412.91 g/mol
Exact Mass412.10
IUPAC Name3-(tert-butylsulfamoyl)-4-chloro-N-[2-(3-fluorophenyl)ethyl]benzamide
SMILESCC(C)(C)NS(=O)(=O)c1cc(C(=O)NCCc2cccc(F)c2)ccc1Cl
InChIInChI=1S/C19H22ClFN2O3S/c1-19(2,3)23-27(25,26)17-12-14(7-8-16(17)20)18(24)22-10-9-13-5-4-6-15(21)11-13/h4-8,11-12,23H,9-10H2,1-3H3,(H,22,24)
InChIKeyIQPMCJMWRHHEMT-UHFFFAOYSA-N
XLogP3.53
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.91
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(tert-butylsulfamoyl)-N-[2-(3-fluorophenyl)ethyl]benzamide
CID 29292702
3-(tert-butylsulfamoyl)-4-chloro-N-propylbenzamide
CID 34827308
4-chloro-N-[2-(3-fluorophenyl)ethyl]benzamide
CID 9051887
N-[2-(3-fluorophenyl)ethyl]-3,4-dimethyl-5-(methylsulfamoyl)benzamide
CID 41365156
3-(tert-butylsulfamoyl)-4-chloro-N-(2,4-difluorophenyl)benzamide
CID 34827235
2,4-dichloro-N-[2-(3-fluorophenyl)ethyl]-5-(2-methylpropylsulfamoyl)benzamide
CID 78816219
4-amino-N-[2-(3-fluorophenyl)ethyl]benzamide
CID 43565816
2-chloro-N-[2-(3-fluorophenyl)ethyl]pyridine-4-carboxamide
CID 32695783
N-[2-(3-fluorophenyl)ethyl]-3-(trifluoromethyl)benzamide
CID 9051893
N-[2-(3-fluorophenyl)ethyl]-4-(prop-2-ynylsulfamoyl)benzamide
CID 33319345
N-[2-(3-fluorophenyl)ethyl]-3-methoxy-4-methylbenzamide
CID 9182358
5,6-dichloro-N-[2-(3-fluorophenyl)ethyl]pyridine-3-carboxamide
CID 43400487

Frequently Asked Questions

What is the IUPAC name of 3-(tert-butylsulfamoyl)-4-chloro-N-[2-(3-fluorophenyl)ethyl]benzamide?
The IUPAC name of 3-(tert-butylsulfamoyl)-4-chloro-N-[2-(3-fluorophenyl)ethyl]benzamide (CID 35425596) is 3-(tert-butylsulfamoyl)-4-chloro-N-[2-(3-fluorophenyl)ethyl]benzamide.
What is the SMILES notation for 3-(tert-butylsulfamoyl)-4-chloro-N-[2-(3-fluorophenyl)ethyl]benzamide?
The canonical SMILES for 3-(tert-butylsulfamoyl)-4-chloro-N-[2-(3-fluorophenyl)ethyl]benzamide is CC(C)(C)NS(=O)(=O)c1cc(C(=O)NCCc2cccc(F)c2)ccc1Cl.
What is the InChIKey of 3-(tert-butylsulfamoyl)-4-chloro-N-[2-(3-fluorophenyl)ethyl]benzamide?
The InChIKey is IQPMCJMWRHHEMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClFN2O3S/c1-19(2,3)23-27(25,26)17-12-14(7-8-16(17)20)18(24)22-10-9-13-5-4-6-15(21)11-13/h4-8,11-12,23H,9-10H2,1-3H3,(H,22,24).
What are the key properties of 3-(tert-butylsulfamoyl)-4-chloro-N-[2-(3-fluorophenyl)ethyl]benzamide?
3-(tert-butylsulfamoyl)-4-chloro-N-[2-(3-fluorophenyl)ethyl]benzamide has a molecular weight of 412.91 g/mol, XLogP of 3.53, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(tert-butylsulfamoyl)-4-chloro-N-[2-(3-fluorophenyl)ethyl]benzamide is sourced from PubChem (CID 35425596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).