(2R)-N-[3-chloro-4-[[3-[difluoro(phosphanyl)methoxy]phenyl]sulfamoyl]phenyl]-2-(hydroxymethyl)-3-methylbutanamide

C19H22ClF2N2O5PS — CID 170339044

IUPAC(2R)-N-[3-chloro-4-[[3-[difluoro(phosphanyl)methoxy]phenyl]sulfamoyl]phenyl]-2-(hydroxymethyl)-3-methylbutanamide
SMILESCC(C)[C@H](CO)C(=O)Nc1ccc(S(=O)(=O)Nc2cccc(OC(F)(F)P)c2)c(Cl)c1
InChIInChI=1S/C19H22ClF2N2O5PS/c1-11(2)15(10-25)18(26)23-12-6-7-17(16(20)9-12)31(27,28)24-13-4-3-5-14(8-13)29-19(21,22)30/h3-9,11,15,24-25H,10,30H2,1-2H3,(H,23,26)/t15-/m0/s1
InChIKeyXJQHFQCYNLQAAZ-HNNXBMFYSA-N
MW494.88 g/mol
LogP4.15
Rot. Bonds9

About (2R)-N-[3-chloro-4-[[3-[difluoro(phosphanyl)methoxy]phenyl]sulfamoyl]phenyl]-2-(hydroxymethyl)-3-methylbutanamide

(2R)-N-[3-chloro-4-[[3-[difluoro(phosphanyl)methoxy]phenyl]sulfamoyl]phenyl]-2-(hydroxymethyl)-3-methylbutanamide (PubChem CID 170339044) has the molecular formula C19H22ClF2N2O5PS and a molecular weight of 494.88 g/mol. Its IUPAC name is (2R)-N-[3-chloro-4-[[3-[difluoro(phosphanyl)methoxy]phenyl]sulfamoyl]phenyl]-2-(hydroxymethyl)-3-methylbutanamide.

Molecular Properties

Compound Name(2R)-N-[3-chloro-4-[[3-[difluoro(phosphanyl)methoxy]phenyl]sulfamoyl]phenyl]-2-(hydroxymethyl)-3-methylbutanamide
PubChem CID170339044
Molecular FormulaC19H22ClF2N2O5PS
Molecular Weight494.88 g/mol
Exact Mass494.06
IUPAC Name(2R)-N-[3-chloro-4-[[3-[difluoro(phosphanyl)methoxy]phenyl]sulfamoyl]phenyl]-2-(hydroxymethyl)-3-methylbutanamide
SMILESCC(C)[C@H](CO)C(=O)Nc1ccc(S(=O)(=O)Nc2cccc(OC(F)(F)P)c2)c(Cl)c1
InChIInChI=1S/C19H22ClF2N2O5PS/c1-11(2)15(10-25)18(26)23-12-6-7-17(16(20)9-12)31(27,28)24-13-4-3-5-14(8-13)29-19(21,22)30/h3-9,11,15,24-25H,10,30H2,1-2H3,(H,23,26)/t15-/m0/s1
InChIKeyXJQHFQCYNLQAAZ-HNNXBMFYSA-N
XLogP4.15
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.88
LogP ≤ 54.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

(2R)-N-[3-ethoxy-4-[[3-(trifluoromethoxy)phenyl]sulfamoyl]phenyl]-2-(hydroxymethyl)-3-methylbutanamide
CID 169204494
(2R)-N-[3-ethoxy-4-[[3-(trifluoromethoxy)phenyl]sulfamoyl]phenyl]-2-(hydroxymethyl)-3-methylpentanamide
CID 169307678
(2R)-3-hydroxy-N-[3-(methoxymethyl)-4-[[3-(trifluoromethoxy)phenyl]sulfamoyl]phenyl]-2-phenylpropanamide
CID 169308061
(2S)-2-acetamido-N-[3-ethoxy-4-[[3-(trifluoromethoxy)phenyl]sulfamoyl]phenyl]-3-methylbutanamide
CID 169204669
S-methyl 2-cyclobutyl-3-[4-[[3-[difluoro(phosphanyl)methoxy]phenyl]sulfamoyl]-3-ethoxyanilino]-3-oxopropanethioate
CID 170341684
(2S)-N-[3-cyano-4-[[3-(1,1-difluoroethoxy)phenyl]sulfamoyl]phenyl]-2-hydroxy-3-methylbutanamide
CID 170341373
(2S)-2-amino-N-[3-methyl-4-[[3-(trifluoromethoxy)phenyl]sulfamoyl]phenyl]-2-phenylacetamide
CID 169307654
N-[3-ethoxy-4-[[3-(trifluoromethoxy)phenyl]sulfamoyl]phenyl]-3,4-dihydroxybutanamide
CID 169307679
N-[3-ethoxy-4-[[3-(trifluoromethoxy)phenyl]sulfamoyl]phenyl]-2-(4-fluorophenyl)-3-hydroxypropanamide
CID 169308123
N-[3-ethoxy-4-[[3-(trifluoromethoxy)phenyl]sulfamoyl]phenyl]-2-(2-hydroxyethyl)-4-methylpentanamide
CID 169307929
N-[3-ethoxy-4-[[3-(trifluoromethoxy)phenyl]sulfamoyl]phenyl]-2-(hydroxymethyl)-4-methylpent-4-enamide
CID 169307988
2,5-dichloro-N-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]benzenesulfonamide
CID 3861332

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[3-chloro-4-[[3-[difluoro(phosphanyl)methoxy]phenyl]sulfamoyl]phenyl]-2-(hydroxymethyl)-3-methylbutanamide?
The IUPAC name of (2R)-N-[3-chloro-4-[[3-[difluoro(phosphanyl)methoxy]phenyl]sulfamoyl]phenyl]-2-(hydroxymethyl)-3-methylbutanamide (CID 170339044) is (2R)-N-[3-chloro-4-[[3-[difluoro(phosphanyl)methoxy]phenyl]sulfamoyl]phenyl]-2-(hydroxymethyl)-3-methylbutanamide.
What is the SMILES notation for (2R)-N-[3-chloro-4-[[3-[difluoro(phosphanyl)methoxy]phenyl]sulfamoyl]phenyl]-2-(hydroxymethyl)-3-methylbutanamide?
The canonical SMILES for (2R)-N-[3-chloro-4-[[3-[difluoro(phosphanyl)methoxy]phenyl]sulfamoyl]phenyl]-2-(hydroxymethyl)-3-methylbutanamide is CC(C)[C@H](CO)C(=O)Nc1ccc(S(=O)(=O)Nc2cccc(OC(F)(F)P)c2)c(Cl)c1.
What is the InChIKey of (2R)-N-[3-chloro-4-[[3-[difluoro(phosphanyl)methoxy]phenyl]sulfamoyl]phenyl]-2-(hydroxymethyl)-3-methylbutanamide?
The InChIKey is XJQHFQCYNLQAAZ-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H22ClF2N2O5PS/c1-11(2)15(10-25)18(26)23-12-6-7-17(16(20)9-12)31(27,28)24-13-4-3-5-14(8-13)29-19(21,22)30/h3-9,11,15,24-25H,10,30H2,1-2H3,(H,23,26)/t15-/m0/s1.
What are the key properties of (2R)-N-[3-chloro-4-[[3-[difluoro(phosphanyl)methoxy]phenyl]sulfamoyl]phenyl]-2-(hydroxymethyl)-3-methylbutanamide?
(2R)-N-[3-chloro-4-[[3-[difluoro(phosphanyl)methoxy]phenyl]sulfamoyl]phenyl]-2-(hydroxymethyl)-3-methylbutanamide has a molecular weight of 494.88 g/mol, XLogP of 4.15, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[3-chloro-4-[[3-[difluoro(phosphanyl)methoxy]phenyl]sulfamoyl]phenyl]-2-(hydroxymethyl)-3-methylbutanamide is sourced from PubChem (CID 170339044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).