2-[4-(difluoromethylsulfanyl)anilino]-N-[2-(4-sulfamoylphenyl)ethyl]benzamide

C22H21F2N3O3S2 — CID 2539246

IUPAC2-[4-(difluoromethylsulfanyl)anilino]-N-[2-(4-sulfamoylphenyl)ethyl]benzamide
SMILESNS(=O)(=O)c1ccc(CCNC(=O)c2ccccc2Nc2ccc(SC(F)F)cc2)cc1
InChIInChI=1S/C22H21F2N3O3S2/c23-22(24)31-17-9-7-16(8-10-17)27-20-4-2-1-3-19(20)21(28)26-14-13-15-5-11-18(12-6-15)32(25,29)30/h1-12,22,27H,13-14H2,(H,26,28)(H2,25,29,30)
InChIKeyRLDCGZRUKZPAFZ-UHFFFAOYSA-N
MW477.56 g/mol
LogP4.36
Rot. Bonds9

About 2-[4-(difluoromethylsulfanyl)anilino]-N-[2-(4-sulfamoylphenyl)ethyl]benzamide

2-[4-(difluoromethylsulfanyl)anilino]-N-[2-(4-sulfamoylphenyl)ethyl]benzamide (PubChem CID 2539246) has the molecular formula C22H21F2N3O3S2 and a molecular weight of 477.56 g/mol. Its IUPAC name is 2-[4-(difluoromethylsulfanyl)anilino]-N-[2-(4-sulfamoylphenyl)ethyl]benzamide.

Molecular Properties

Compound Name2-[4-(difluoromethylsulfanyl)anilino]-N-[2-(4-sulfamoylphenyl)ethyl]benzamide
PubChem CID2539246
Molecular FormulaC22H21F2N3O3S2
Molecular Weight477.56 g/mol
Exact Mass477.10
IUPAC Name2-[4-(difluoromethylsulfanyl)anilino]-N-[2-(4-sulfamoylphenyl)ethyl]benzamide
SMILESNS(=O)(=O)c1ccc(CCNC(=O)c2ccccc2Nc2ccc(SC(F)F)cc2)cc1
InChIInChI=1S/C22H21F2N3O3S2/c23-22(24)31-17-9-7-16(8-10-17)27-20-4-2-1-3-19(20)21(28)26-14-13-15-5-11-18(12-6-15)32(25,29)30/h1-12,22,27H,13-14H2,(H,26,28)(H2,25,29,30)
InChIKeyRLDCGZRUKZPAFZ-UHFFFAOYSA-N
XLogP4.36
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.56
LogP ≤ 54.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(cyclopropanecarbonylamino)ethyl]-2-[4-(difluoromethylsulfanyl)anilino]benzamide
CID 112767631
2-[4-(difluoromethylsulfanyl)anilino]-N-[2-(difluoromethylsulfanyl)phenyl]benzamide
CID 21179535
2-[4-(difluoromethylsulfanyl)anilino]-N-(pyridin-2-ylmethyl)benzamide
CID 25469086
2-[4-(difluoromethylsulfanyl)anilino]-N-methyl-N-propan-2-ylbenzamide
CID 112812209
2-[2-(2-fluoroanilino)-2-oxoethoxy]-N-[2-(4-sulfamoylphenyl)ethyl]benzamide
CID 26695506
(2R)-2-(4-fluorophenyl)sulfanyl-N-[2-(4-sulfamoylphenyl)ethyl]propanamide
CID 8740673
6-anilino-N-[2-(4-sulfamoylphenyl)ethyl]pyridine-3-carboxamide
CID 109159783
2-chloro-N-[3-(4-sulfamoylphenyl)propyl]benzamide
CID 110293759
N-[2-[[4-(difluoromethylsulfanyl)benzoyl]amino]ethyl]-2-hydroxybenzamide
CID 60572220
2-methyl-N-[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl]benzamide
CID 46651326
2-iodo-N-[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl]benzamide
CID 2687936
5-fluoro-2-pyrrol-1-yl-N-[2-(4-sulfamoylphenyl)ethyl]benzamide
CID 45493285

Frequently Asked Questions

What is the IUPAC name of 2-[4-(difluoromethylsulfanyl)anilino]-N-[2-(4-sulfamoylphenyl)ethyl]benzamide?
The IUPAC name of 2-[4-(difluoromethylsulfanyl)anilino]-N-[2-(4-sulfamoylphenyl)ethyl]benzamide (CID 2539246) is 2-[4-(difluoromethylsulfanyl)anilino]-N-[2-(4-sulfamoylphenyl)ethyl]benzamide.
What is the SMILES notation for 2-[4-(difluoromethylsulfanyl)anilino]-N-[2-(4-sulfamoylphenyl)ethyl]benzamide?
The canonical SMILES for 2-[4-(difluoromethylsulfanyl)anilino]-N-[2-(4-sulfamoylphenyl)ethyl]benzamide is NS(=O)(=O)c1ccc(CCNC(=O)c2ccccc2Nc2ccc(SC(F)F)cc2)cc1.
What is the InChIKey of 2-[4-(difluoromethylsulfanyl)anilino]-N-[2-(4-sulfamoylphenyl)ethyl]benzamide?
The InChIKey is RLDCGZRUKZPAFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21F2N3O3S2/c23-22(24)31-17-9-7-16(8-10-17)27-20-4-2-1-3-19(20)21(28)26-14-13-15-5-11-18(12-6-15)32(25,29)30/h1-12,22,27H,13-14H2,(H,26,28)(H2,25,29,30).
What are the key properties of 2-[4-(difluoromethylsulfanyl)anilino]-N-[2-(4-sulfamoylphenyl)ethyl]benzamide?
2-[4-(difluoromethylsulfanyl)anilino]-N-[2-(4-sulfamoylphenyl)ethyl]benzamide has a molecular weight of 477.56 g/mol, XLogP of 4.36, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(difluoromethylsulfanyl)anilino]-N-[2-(4-sulfamoylphenyl)ethyl]benzamide is sourced from PubChem (CID 2539246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).