N-[(2R)-1-(4-nitroanilino)propan-2-yl]benzenesulfonamide

C15H17N3O4S — CID 7302026

IUPACN-[(2R)-1-(4-nitroanilino)propan-2-yl]benzenesulfonamide
SMILESC[C@H](CNc1ccc([N+](=O)[O-])cc1)NS(=O)(=O)c1ccccc1
InChIInChI=1S/C15H17N3O4S/c1-12(17-23(21,22)15-5-3-2-4-6-15)11-16-13-7-9-14(10-8-13)18(19)20/h2-10,12,16-17H,11H2,1H3/t12-/m1/s1
InChIKeyFTDFOSYKZFNARF-GFCCVEGCSA-N
MW335.39 g/mol
LogP2.37
Rot. Bonds7

About N-[(2R)-1-(4-nitroanilino)propan-2-yl]benzenesulfonamide

N-[(2R)-1-(4-nitroanilino)propan-2-yl]benzenesulfonamide (PubChem CID 7302026) has the molecular formula C15H17N3O4S and a molecular weight of 335.39 g/mol. Its IUPAC name is N-[(2R)-1-(4-nitroanilino)propan-2-yl]benzenesulfonamide.

Molecular Properties

Compound NameN-[(2R)-1-(4-nitroanilino)propan-2-yl]benzenesulfonamide
PubChem CID7302026
Molecular FormulaC15H17N3O4S
Molecular Weight335.39 g/mol
Exact Mass335.09
IUPAC NameN-[(2R)-1-(4-nitroanilino)propan-2-yl]benzenesulfonamide
SMILESC[C@H](CNc1ccc([N+](=O)[O-])cc1)NS(=O)(=O)c1ccccc1
InChIInChI=1S/C15H17N3O4S/c1-12(17-23(21,22)15-5-3-2-4-6-15)11-16-13-7-9-14(10-8-13)18(19)20/h2-10,12,16-17H,11H2,1H3/t12-/m1/s1
InChIKeyFTDFOSYKZFNARF-GFCCVEGCSA-N
XLogP2.37
TPSA101.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.39
LogP ≤ 52.37
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

Sulfanitran
CID 5334
N-Methyl-4-(methylamino)-3-nitrobenzenesulfonamide
CID 4558331
4'-Nitrobenzenesulfonanilide
CID 231837
4-(4-Benzenesulfonamidophenyl)piperazine
CID 11849789
N-[2-(4-nitroanilino)ethyl]benzenesulfonamide
CID 459019
Benzenesulfonamide, 2-amino-N-ethyl-5-nitro-N-phenyl-
CID 67001
N-n-hexyl-N''-[2-(cyclohexylamino)-5-nitrobenzenesulfonyl]urea
CID 11604299
4-methyl-N-[2-(4-nitroanilino)ethyl]benzenesulfonamide
CID 2969582
N-[2-(dimethylamino)ethyl]-4-(ethylamino)-3-nitrobenzenesulfonamide
CID 4841397
N-{3-[(4-nitrophenyl)amino]propyl}benzenesulfonamide
CID 2883302
BM-567
CID 9866368
2-(Hexylamino)-5-nitrobenzenesulfonamide
CID 44586645

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-(4-nitroanilino)propan-2-yl]benzenesulfonamide?
The IUPAC name of N-[(2R)-1-(4-nitroanilino)propan-2-yl]benzenesulfonamide (CID 7302026) is N-[(2R)-1-(4-nitroanilino)propan-2-yl]benzenesulfonamide.
What is the SMILES notation for N-[(2R)-1-(4-nitroanilino)propan-2-yl]benzenesulfonamide?
The canonical SMILES for N-[(2R)-1-(4-nitroanilino)propan-2-yl]benzenesulfonamide is C[C@H](CNc1ccc([N+](=O)[O-])cc1)NS(=O)(=O)c1ccccc1.
What is the InChIKey of N-[(2R)-1-(4-nitroanilino)propan-2-yl]benzenesulfonamide?
The InChIKey is FTDFOSYKZFNARF-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H17N3O4S/c1-12(17-23(21,22)15-5-3-2-4-6-15)11-16-13-7-9-14(10-8-13)18(19)20/h2-10,12,16-17H,11H2,1H3/t12-/m1/s1.
What are the key properties of N-[(2R)-1-(4-nitroanilino)propan-2-yl]benzenesulfonamide?
N-[(2R)-1-(4-nitroanilino)propan-2-yl]benzenesulfonamide has a molecular weight of 335.39 g/mol, XLogP of 2.37, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-(4-nitroanilino)propan-2-yl]benzenesulfonamide is sourced from PubChem (CID 7302026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).