(2R)-2-[(4-fluoro-3-nitrophenyl)sulfonylamino]-N-propylpropanamide

C12H16FN3O5S — CID 8800972

IUPAC(2R)-2-[(4-fluoro-3-nitrophenyl)sulfonylamino]-N-propylpropanamide
SMILESCCCNC(=O)[C@@H](C)NS(=O)(=O)c1ccc(F)c([N+](=O)[O-])c1
InChIInChI=1S/C12H16FN3O5S/c1-3-6-14-12(17)8(2)15-22(20,21)9-4-5-10(13)11(7-9)16(18)19/h4-5,7-8,15H,3,6H2,1-2H3,(H,14,17)/t8-/m1/s1
InChIKeyFBFOPTBYHPKYPS-MRVPVSSYSA-N
MW333.34 g/mol
LogP0.93
Rot. Bonds7

About (2R)-2-[(4-fluoro-3-nitrophenyl)sulfonylamino]-N-propylpropanamide

(2R)-2-[(4-fluoro-3-nitrophenyl)sulfonylamino]-N-propylpropanamide (PubChem CID 8800972) has the molecular formula C12H16FN3O5S and a molecular weight of 333.34 g/mol. Its IUPAC name is (2R)-2-[(4-fluoro-3-nitrophenyl)sulfonylamino]-N-propylpropanamide.

Molecular Properties

Compound Name(2R)-2-[(4-fluoro-3-nitrophenyl)sulfonylamino]-N-propylpropanamide
PubChem CID8800972
Molecular FormulaC12H16FN3O5S
Molecular Weight333.34 g/mol
Exact Mass333.08
IUPAC Name(2R)-2-[(4-fluoro-3-nitrophenyl)sulfonylamino]-N-propylpropanamide
SMILESCCCNC(=O)[C@@H](C)NS(=O)(=O)c1ccc(F)c([N+](=O)[O-])c1
InChIInChI=1S/C12H16FN3O5S/c1-3-6-14-12(17)8(2)15-22(20,21)9-4-5-10(13)11(7-9)16(18)19/h4-5,7-8,15H,3,6H2,1-2H3,(H,14,17)/t8-/m1/s1
InChIKeyFBFOPTBYHPKYPS-MRVPVSSYSA-N
XLogP0.93
TPSA118.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.34
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-[(4-nitrophenyl)sulfonylamino]-N-propylpropanamide
CID 8800730
N-(1-chloropropan-2-yl)-4-fluoro-3-nitrobenzenesulfonamide
CID 106442002
(2R)-2-[(4-fluoro-3-nitrophenyl)sulfonylamino]pentanoic acid
CID 107564868
4-fluoro-N-(4-hydroxybutan-2-yl)-3-nitrobenzenesulfonamide
CID 83187988
2-[(3-amino-4-nitrophenyl)sulfonylamino]-N-ethylpropanamide
CID 82846047
(2S)-2-[(2,5-difluorophenyl)sulfonylamino]-N-propylpropanamide
CID 8801007
2-[(4-methylphenyl)sulfonylamino]-N-propylpropanamide
CID 5039910
2-[(5-chloro-4-nitrothiophen-2-yl)sulfonylamino]-N-propylpropanamide
CID 112729900
2-[(4-bromophenyl)sulfonylamino]-N-propylpropanamide
CID 4312518
4-fluoro-N-(3-hydroxybutyl)-3-nitrobenzenesulfonamide
CID 64911034
(2R)-2-[(3-chloro-4-fluorophenyl)sulfonylamino]-N-ethylpropanamide
CID 8802546
4-fluoro-N-(2-hydroxypropyl)-3-nitrobenzenesulfonamide
CID 43502399

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(4-fluoro-3-nitrophenyl)sulfonylamino]-N-propylpropanamide?
The IUPAC name of (2R)-2-[(4-fluoro-3-nitrophenyl)sulfonylamino]-N-propylpropanamide (CID 8800972) is (2R)-2-[(4-fluoro-3-nitrophenyl)sulfonylamino]-N-propylpropanamide.
What is the SMILES notation for (2R)-2-[(4-fluoro-3-nitrophenyl)sulfonylamino]-N-propylpropanamide?
The canonical SMILES for (2R)-2-[(4-fluoro-3-nitrophenyl)sulfonylamino]-N-propylpropanamide is CCCNC(=O)[C@@H](C)NS(=O)(=O)c1ccc(F)c([N+](=O)[O-])c1.
What is the InChIKey of (2R)-2-[(4-fluoro-3-nitrophenyl)sulfonylamino]-N-propylpropanamide?
The InChIKey is FBFOPTBYHPKYPS-MRVPVSSYSA-N. The full InChI is InChI=1S/C12H16FN3O5S/c1-3-6-14-12(17)8(2)15-22(20,21)9-4-5-10(13)11(7-9)16(18)19/h4-5,7-8,15H,3,6H2,1-2H3,(H,14,17)/t8-/m1/s1.
What are the key properties of (2R)-2-[(4-fluoro-3-nitrophenyl)sulfonylamino]-N-propylpropanamide?
(2R)-2-[(4-fluoro-3-nitrophenyl)sulfonylamino]-N-propylpropanamide has a molecular weight of 333.34 g/mol, XLogP of 0.93, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(4-fluoro-3-nitrophenyl)sulfonylamino]-N-propylpropanamide is sourced from PubChem (CID 8800972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).