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

C15H16ClN3O4S — CID 7312884

IUPAC4-chloro-N-[(2R)-1-(4-nitroanilino)propan-2-yl]benzenesulfonamide
SMILESC[C@H](CNc1ccc([N+](=O)[O-])cc1)NS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C15H16ClN3O4S/c1-11(10-17-13-4-6-14(7-5-13)19(20)21)18-24(22,23)15-8-2-12(16)3-9-15/h2-9,11,17-18H,10H2,1H3/t11-/m1/s1
InChIKeyLMJBSRRYLACHQI-LLVKDONJSA-N
MW369.83 g/mol
LogP3.03
Rot. Bonds7

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

4-chloro-N-[(2R)-1-(4-nitroanilino)propan-2-yl]benzenesulfonamide (PubChem CID 7312884) has the molecular formula C15H16ClN3O4S and a molecular weight of 369.83 g/mol. Its IUPAC name is 4-chloro-N-[(2R)-1-(4-nitroanilino)propan-2-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-[(2R)-1-(4-nitroanilino)propan-2-yl]benzenesulfonamide
PubChem CID7312884
Molecular FormulaC15H16ClN3O4S
Molecular Weight369.83 g/mol
Exact Mass369.06
IUPAC Name4-chloro-N-[(2R)-1-(4-nitroanilino)propan-2-yl]benzenesulfonamide
SMILESC[C@H](CNc1ccc([N+](=O)[O-])cc1)NS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C15H16ClN3O4S/c1-11(10-17-13-4-6-14(7-5-13)19(20)21)18-24(22,23)15-8-2-12(16)3-9-15/h2-9,11,17-18H,10H2,1H3/t11-/m1/s1
InChIKeyLMJBSRRYLACHQI-LLVKDONJSA-N
XLogP3.03
TPSA101.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.83
LogP ≤ 53.03
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

N-[(2R)-1-(4-nitroanilino)propan-2-yl]benzenesulfonamide
CID 7302026
N-butan-2-yl-4-[(4-nitrophenyl)sulfonylamino]benzenesulfonamide
CID 3384458
N-[(2S)-butan-2-yl]-4-chlorobenzenesulfonamide
CID 965240
N-[(1R)-1-(4-chlorophenyl)-2-oxopropyl]-4-nitrobenzenesulfonamide
CID 101440796
(2R)-1-(4-nitroanilino)propan-2-ol
CID 7601843
4-nitro-N-pentan-3-ylbenzenesulfonamide
CID 885109
N-butan-2-yl-4-chloro-2-nitrobenzenesulfonamide
CID 42949762
CID 70381437
CID 70381437
1-(4-chlorophenyl)sulfonyl-3-(4-nitrophenyl)urea
CID 134114974
1-[4-(butan-2-ylsulfamoyl)phenyl]-3-(4-chlorophenyl)urea
CID 17160150
N-[4-[[(2S)-butan-2-yl]sulfamoyl]phenyl]-2-chloro-4-nitrobenzamide
CID 1306199
2-[4-[2-[(4-chlorophenyl)sulfonylamino]propyl]anilino]acetic acid
CID 14880086

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(2R)-1-(4-nitroanilino)propan-2-yl]benzenesulfonamide?
The IUPAC name of 4-chloro-N-[(2R)-1-(4-nitroanilino)propan-2-yl]benzenesulfonamide (CID 7312884) is 4-chloro-N-[(2R)-1-(4-nitroanilino)propan-2-yl]benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-[(2R)-1-(4-nitroanilino)propan-2-yl]benzenesulfonamide?
The canonical SMILES for 4-chloro-N-[(2R)-1-(4-nitroanilino)propan-2-yl]benzenesulfonamide is C[C@H](CNc1ccc([N+](=O)[O-])cc1)NS(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[(2R)-1-(4-nitroanilino)propan-2-yl]benzenesulfonamide?
The InChIKey is LMJBSRRYLACHQI-LLVKDONJSA-N. The full InChI is InChI=1S/C15H16ClN3O4S/c1-11(10-17-13-4-6-14(7-5-13)19(20)21)18-24(22,23)15-8-2-12(16)3-9-15/h2-9,11,17-18H,10H2,1H3/t11-/m1/s1.
What are the key properties of 4-chloro-N-[(2R)-1-(4-nitroanilino)propan-2-yl]benzenesulfonamide?
4-chloro-N-[(2R)-1-(4-nitroanilino)propan-2-yl]benzenesulfonamide has a molecular weight of 369.83 g/mol, XLogP of 3.03, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(2R)-1-(4-nitroanilino)propan-2-yl]benzenesulfonamide is sourced from PubChem (CID 7312884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).