(2R)-2-[(4-fluorophenyl)sulfonylamino]-N-(4-sulfamoylphenyl)propanamide

C15H16FN3O5S2 — CID 124549106

IUPAC(2R)-2-[(4-fluorophenyl)sulfonylamino]-N-(4-sulfamoylphenyl)propanamide
SMILESC[C@@H](NS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C15H16FN3O5S2/c1-10(19-26(23,24)14-6-2-11(16)3-7-14)15(20)18-12-4-8-13(9-5-12)25(17,21)22/h2-10,19H,1H3,(H,18,20)(H2,17,21,22)/t10-/m1/s1
InChIKeyPTXMWKWYTFSODY-SNVBAGLBSA-N
MW401.44 g/mol
LogP0.78
Rot. Bonds6

About (2R)-2-[(4-fluorophenyl)sulfonylamino]-N-(4-sulfamoylphenyl)propanamide

(2R)-2-[(4-fluorophenyl)sulfonylamino]-N-(4-sulfamoylphenyl)propanamide (PubChem CID 124549106) has the molecular formula C15H16FN3O5S2 and a molecular weight of 401.44 g/mol. Its IUPAC name is (2R)-2-[(4-fluorophenyl)sulfonylamino]-N-(4-sulfamoylphenyl)propanamide.

Molecular Properties

Compound Name(2R)-2-[(4-fluorophenyl)sulfonylamino]-N-(4-sulfamoylphenyl)propanamide
PubChem CID124549106
Molecular FormulaC15H16FN3O5S2
Molecular Weight401.44 g/mol
Exact Mass401.05
IUPAC Name(2R)-2-[(4-fluorophenyl)sulfonylamino]-N-(4-sulfamoylphenyl)propanamide
SMILESC[C@@H](NS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C15H16FN3O5S2/c1-10(19-26(23,24)14-6-2-11(16)3-7-14)15(20)18-12-4-8-13(9-5-12)25(17,21)22/h2-10,19H,1H3,(H,18,20)(H2,17,21,22)/t10-/m1/s1
InChIKeyPTXMWKWYTFSODY-SNVBAGLBSA-N
XLogP0.78
TPSA135.43 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.44
LogP ≤ 50.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-N-(4-chlorophenyl)-2-[(4-fluorophenyl)sulfonylamino]propanamide
CID 9068716
2-[(4-fluorophenyl)sulfonylamino]-N-(4-propan-2-ylphenyl)propanamide
CID 4539824
(2R)-N-(4-fluorophenyl)-2-[(4-methoxyphenyl)sulfonylamino]propanamide
CID 124548460
(2R)-N-(3-chloro-4-fluorophenyl)-2-[(4-fluorophenyl)sulfonylamino]propanamide
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N-(4-fluorophenyl)-N'-(4-sulfamoylphenyl)oxamide
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(2R)-2-(4-fluorophenyl)sulfanyl-N-(4-sulfamoylphenyl)propanamide
CID 2639557
(2S)-N-(2,4-difluorophenyl)-2-[(4-fluorophenyl)sulfonylamino]propanamide
CID 7924414
(2S)-2-[(4-sulfamoylphenyl)sulfonylamino]propanamide
CID 94501214
N-(4-acetamidophenyl)-2-[(4-methylphenyl)sulfonylamino]propanamide
CID 5125131
(2R)-N-ethyl-2-[(4-fluorophenyl)sulfonylamino]propanamide
CID 51424939
N-(2-ethylphenyl)-2-[(4-fluorophenyl)sulfonylamino]propanamide
CID 3256191
(2S)-2-[(4-fluorophenyl)sulfonylamino]-N-(1,3,4-thiadiazol-2-yl)propanamide
CID 29370496

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(4-fluorophenyl)sulfonylamino]-N-(4-sulfamoylphenyl)propanamide?
The IUPAC name of (2R)-2-[(4-fluorophenyl)sulfonylamino]-N-(4-sulfamoylphenyl)propanamide (CID 124549106) is (2R)-2-[(4-fluorophenyl)sulfonylamino]-N-(4-sulfamoylphenyl)propanamide.
What is the SMILES notation for (2R)-2-[(4-fluorophenyl)sulfonylamino]-N-(4-sulfamoylphenyl)propanamide?
The canonical SMILES for (2R)-2-[(4-fluorophenyl)sulfonylamino]-N-(4-sulfamoylphenyl)propanamide is C[C@@H](NS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of (2R)-2-[(4-fluorophenyl)sulfonylamino]-N-(4-sulfamoylphenyl)propanamide?
The InChIKey is PTXMWKWYTFSODY-SNVBAGLBSA-N. The full InChI is InChI=1S/C15H16FN3O5S2/c1-10(19-26(23,24)14-6-2-11(16)3-7-14)15(20)18-12-4-8-13(9-5-12)25(17,21)22/h2-10,19H,1H3,(H,18,20)(H2,17,21,22)/t10-/m1/s1.
What are the key properties of (2R)-2-[(4-fluorophenyl)sulfonylamino]-N-(4-sulfamoylphenyl)propanamide?
(2R)-2-[(4-fluorophenyl)sulfonylamino]-N-(4-sulfamoylphenyl)propanamide has a molecular weight of 401.44 g/mol, XLogP of 0.78, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(4-fluorophenyl)sulfonylamino]-N-(4-sulfamoylphenyl)propanamide is sourced from PubChem (CID 124549106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).