(2R)-2-(3,4-difluorophenyl)sulfanyl-N-(4-sulfamoylphenyl)propanamide

C15H14F2N2O3S2 — CID 7737171

IUPAC(2R)-2-(3,4-difluorophenyl)sulfanyl-N-(4-sulfamoylphenyl)propanamide
SMILESC[C@@H](Sc1ccc(F)c(F)c1)C(=O)Nc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C15H14F2N2O3S2/c1-9(23-11-4-7-13(16)14(17)8-11)15(20)19-10-2-5-12(6-3-10)24(18,21)22/h2-9H,1H3,(H,19,20)(H2,18,21,22)/t9-/m1/s1
InChIKeyNBVSSOBNFOAKPC-SECBINFHSA-N
MW372.42 g/mol
LogP2.73
Rot. Bonds5

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

(2R)-2-(3,4-difluorophenyl)sulfanyl-N-(4-sulfamoylphenyl)propanamide (PubChem CID 7737171) has the molecular formula C15H14F2N2O3S2 and a molecular weight of 372.42 g/mol. Its IUPAC name is (2R)-2-(3,4-difluorophenyl)sulfanyl-N-(4-sulfamoylphenyl)propanamide.

Molecular Properties

Compound Name(2R)-2-(3,4-difluorophenyl)sulfanyl-N-(4-sulfamoylphenyl)propanamide
PubChem CID7737171
Molecular FormulaC15H14F2N2O3S2
Molecular Weight372.42 g/mol
Exact Mass372.04
IUPAC Name(2R)-2-(3,4-difluorophenyl)sulfanyl-N-(4-sulfamoylphenyl)propanamide
SMILESC[C@@H](Sc1ccc(F)c(F)c1)C(=O)Nc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C15H14F2N2O3S2/c1-9(23-11-4-7-13(16)14(17)8-11)15(20)19-10-2-5-12(6-3-10)24(18,21)22/h2-9H,1H3,(H,19,20)(H2,18,21,22)/t9-/m1/s1
InChIKeyNBVSSOBNFOAKPC-SECBINFHSA-N
XLogP2.73
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.42
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-(4-fluorophenyl)sulfanyl-N-(4-sulfamoylphenyl)propanamide
CID 2639557
(2S)-N-(4-acetamidophenyl)-2-(3,4-difluorophenyl)sulfanylpropanamide
CID 9055622
N-(3,4-difluorophenyl)-2-(3,4-difluorophenyl)sulfanylpropanamide
CID 24500478
2-(3,4-difluorophenyl)sulfanyl-N-phenylpropanamide
CID 47114263
2-(3,4-difluorophenyl)sulfanyl-N-(4-fluoro-3-nitrophenyl)propanamide
CID 55387447
N-[4-[1-oxo-1-(4-sulfamoylanilino)propan-2-yl]sulfanylphenyl]cyclopropanecarboxamide
CID 22777234
2-[3-(phenylcarbamothioylamino)phenyl]sulfanyl-N-(4-sulfamoylphenyl)propanamide
CID 19316312
(2R)-2-(4-fluorophenyl)sulfanyl-N-(3-sulfamoylphenyl)propanamide
CID 40741893
(2S)-N-(3,4-difluorophenyl)-2-phenylsulfanylpropanamide
CID 970786
4-methoxy-N-[4-[1-oxo-1-(4-sulfamoylanilino)propan-2-yl]sulfanylphenyl]benzamide
CID 23098487
(2R)-N-(3-chloro-4-methoxyphenyl)-2-(3,4-difluorophenyl)sulfanylpropanamide
CID 9310323
2,3,4,5-tetrachloro-6-[[4-[1-oxo-1-(4-sulfamoylanilino)propan-2-yl]sulfanylphenyl]carbamoyl]benzoic acid
CID 22785462

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(3,4-difluorophenyl)sulfanyl-N-(4-sulfamoylphenyl)propanamide?
The IUPAC name of (2R)-2-(3,4-difluorophenyl)sulfanyl-N-(4-sulfamoylphenyl)propanamide (CID 7737171) is (2R)-2-(3,4-difluorophenyl)sulfanyl-N-(4-sulfamoylphenyl)propanamide.
What is the SMILES notation for (2R)-2-(3,4-difluorophenyl)sulfanyl-N-(4-sulfamoylphenyl)propanamide?
The canonical SMILES for (2R)-2-(3,4-difluorophenyl)sulfanyl-N-(4-sulfamoylphenyl)propanamide is C[C@@H](Sc1ccc(F)c(F)c1)C(=O)Nc1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of (2R)-2-(3,4-difluorophenyl)sulfanyl-N-(4-sulfamoylphenyl)propanamide?
The InChIKey is NBVSSOBNFOAKPC-SECBINFHSA-N. The full InChI is InChI=1S/C15H14F2N2O3S2/c1-9(23-11-4-7-13(16)14(17)8-11)15(20)19-10-2-5-12(6-3-10)24(18,21)22/h2-9H,1H3,(H,19,20)(H2,18,21,22)/t9-/m1/s1.
What are the key properties of (2R)-2-(3,4-difluorophenyl)sulfanyl-N-(4-sulfamoylphenyl)propanamide?
(2R)-2-(3,4-difluorophenyl)sulfanyl-N-(4-sulfamoylphenyl)propanamide has a molecular weight of 372.42 g/mol, XLogP of 2.73, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(3,4-difluorophenyl)sulfanyl-N-(4-sulfamoylphenyl)propanamide is sourced from PubChem (CID 7737171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).