(2R)-2-(4-fluorophenyl)sulfanyl-N-(3-sulfamoylphenyl)propanamide

C15H15FN2O3S2 — CID 40741893

IUPAC(2R)-2-(4-fluorophenyl)sulfanyl-N-(3-sulfamoylphenyl)propanamide
SMILESC[C@@H](Sc1ccc(F)cc1)C(=O)Nc1cccc(S(N)(=O)=O)c1
InChIInChI=1S/C15H15FN2O3S2/c1-10(22-13-7-5-11(16)6-8-13)15(19)18-12-3-2-4-14(9-12)23(17,20)21/h2-10H,1H3,(H,18,19)(H2,17,20,21)/t10-/m1/s1
InChIKeyBUQJULLAYGRUJV-SNVBAGLBSA-N
MW354.43 g/mol
LogP2.59
Rot. Bonds5

About (2R)-2-(4-fluorophenyl)sulfanyl-N-(3-sulfamoylphenyl)propanamide

(2R)-2-(4-fluorophenyl)sulfanyl-N-(3-sulfamoylphenyl)propanamide (PubChem CID 40741893) has the molecular formula C15H15FN2O3S2 and a molecular weight of 354.43 g/mol. Its IUPAC name is (2R)-2-(4-fluorophenyl)sulfanyl-N-(3-sulfamoylphenyl)propanamide.

Molecular Properties

Compound Name(2R)-2-(4-fluorophenyl)sulfanyl-N-(3-sulfamoylphenyl)propanamide
PubChem CID40741893
Molecular FormulaC15H15FN2O3S2
Molecular Weight354.43 g/mol
Exact Mass354.05
IUPAC Name(2R)-2-(4-fluorophenyl)sulfanyl-N-(3-sulfamoylphenyl)propanamide
SMILESC[C@@H](Sc1ccc(F)cc1)C(=O)Nc1cccc(S(N)(=O)=O)c1
InChIInChI=1S/C15H15FN2O3S2/c1-10(22-13-7-5-11(16)6-8-13)15(19)18-12-3-2-4-14(9-12)23(17,20)21/h2-10H,1H3,(H,18,19)(H2,17,20,21)/t10-/m1/s1
InChIKeyBUQJULLAYGRUJV-SNVBAGLBSA-N
XLogP2.59
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.43
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-[3-(dimethylsulfamoyl)phenyl]-2-(4-fluorophenyl)sulfanylpropanamide
CID 7553941
(2R)-2-(4-fluorophenyl)sulfanyl-N-(4-sulfamoylphenyl)propanamide
CID 2639557
2-[[5-[(4-fluorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(3-sulfamoylphenyl)propanamide
CID 45355207
(2R)-2-[[5-[(4-fluorophenyl)methylamino]-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(3-sulfamoylphenyl)propanamide
CID 27069345
2-(4-bromophenyl)sulfanyl-N-(3-ethylsulfonylphenyl)propanamide
CID 86971404
(2R)-N-(3-sulfamoylphenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)propanamide
CID 8935752
(2R)-2-(3,4-difluorophenyl)sulfanyl-N-(4-sulfamoylphenyl)propanamide
CID 7737171
(2R)-2-(4-fluorophenyl)sulfanyl-N-[4-(propan-2-ylsulfamoyl)phenyl]propanamide
CID 7553964
(2R)-N-[3-(diethylsulfamoyl)phenyl]-2-phenylsulfanylpropanamide
CID 8883782
(2S)-2-(2,4-difluorophenyl)sulfanyl-N-[3-(dimethylsulfamoyl)phenyl]propanamide
CID 9046565
2-[3-(phenylcarbamothioylamino)phenyl]sulfanyl-N-(4-sulfamoylphenyl)propanamide
CID 19316312
2-(1,3-benzoxazol-2-ylsulfanyl)-N-(3-sulfamoylphenyl)propanamide
CID 46620208

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-fluorophenyl)sulfanyl-N-(3-sulfamoylphenyl)propanamide?
The IUPAC name of (2R)-2-(4-fluorophenyl)sulfanyl-N-(3-sulfamoylphenyl)propanamide (CID 40741893) is (2R)-2-(4-fluorophenyl)sulfanyl-N-(3-sulfamoylphenyl)propanamide.
What is the SMILES notation for (2R)-2-(4-fluorophenyl)sulfanyl-N-(3-sulfamoylphenyl)propanamide?
The canonical SMILES for (2R)-2-(4-fluorophenyl)sulfanyl-N-(3-sulfamoylphenyl)propanamide is C[C@@H](Sc1ccc(F)cc1)C(=O)Nc1cccc(S(N)(=O)=O)c1.
What is the InChIKey of (2R)-2-(4-fluorophenyl)sulfanyl-N-(3-sulfamoylphenyl)propanamide?
The InChIKey is BUQJULLAYGRUJV-SNVBAGLBSA-N. The full InChI is InChI=1S/C15H15FN2O3S2/c1-10(22-13-7-5-11(16)6-8-13)15(19)18-12-3-2-4-14(9-12)23(17,20)21/h2-10H,1H3,(H,18,19)(H2,17,20,21)/t10-/m1/s1.
What are the key properties of (2R)-2-(4-fluorophenyl)sulfanyl-N-(3-sulfamoylphenyl)propanamide?
(2R)-2-(4-fluorophenyl)sulfanyl-N-(3-sulfamoylphenyl)propanamide has a molecular weight of 354.43 g/mol, XLogP of 2.59, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-fluorophenyl)sulfanyl-N-(3-sulfamoylphenyl)propanamide is sourced from PubChem (CID 40741893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).