2,3-dichloro-N-[(2R)-2-methoxy-2-phenylethyl]-5-nitrobenzenesulfonamide

C15H14Cl2N2O5S — CID 100763252

IUPAC2,3-dichloro-N-[(2R)-2-methoxy-2-phenylethyl]-5-nitrobenzenesulfonamide
SMILESCO[C@@H](CNS(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1Cl)c1ccccc1
InChIInChI=1S/C15H14Cl2N2O5S/c1-24-13(10-5-3-2-4-6-10)9-18-25(22,23)14-8-11(19(20)21)7-12(16)15(14)17/h2-8,13,18H,9H2,1H3/t13-/m0/s1
InChIKeyMQZPRWDQPBXLIA-ZDUSSCGKSA-N
MW405.26 g/mol
LogP3.57
Rot. Bonds7

About 2,3-dichloro-N-[(2R)-2-methoxy-2-phenylethyl]-5-nitrobenzenesulfonamide

2,3-dichloro-N-[(2R)-2-methoxy-2-phenylethyl]-5-nitrobenzenesulfonamide (PubChem CID 100763252) has the molecular formula C15H14Cl2N2O5S and a molecular weight of 405.26 g/mol. Its IUPAC name is 2,3-dichloro-N-[(2R)-2-methoxy-2-phenylethyl]-5-nitrobenzenesulfonamide.

Molecular Properties

Compound Name2,3-dichloro-N-[(2R)-2-methoxy-2-phenylethyl]-5-nitrobenzenesulfonamide
PubChem CID100763252
Molecular FormulaC15H14Cl2N2O5S
Molecular Weight405.26 g/mol
Exact Mass404.00
IUPAC Name2,3-dichloro-N-[(2R)-2-methoxy-2-phenylethyl]-5-nitrobenzenesulfonamide
SMILESCO[C@@H](CNS(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1Cl)c1ccccc1
InChIInChI=1S/C15H14Cl2N2O5S/c1-24-13(10-5-3-2-4-6-10)9-18-25(22,23)14-8-11(19(20)21)7-12(16)15(14)17/h2-8,13,18H,9H2,1H3/t13-/m0/s1
InChIKeyMQZPRWDQPBXLIA-ZDUSSCGKSA-N
XLogP3.57
TPSA98.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.26
LogP ≤ 53.57
H-Bond Donors ≤ 51
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-[2-(2-chlorophenyl)-2-methoxyethyl]-4-nitrobenzenesulfonamide
CID 90623875
3-[(2-chloro-4-nitrophenyl)sulfonylamino]-2-methoxypropanoic acid
CID 104936862
N-(2-methoxy-2-thiophen-3-ylethyl)-2-methyl-5-nitrobenzenesulfonamide
CID 90584070
methyl 3-[(2-chloro-4-nitrophenyl)sulfonylamino]-2-hydroxypropanoate
CID 103946902
2-methyl-5-nitro-N-(2-phenylbutyl)benzenesulfonamide
CID 43029553
2,5-dichloro-N-[2-(3-fluorophenyl)-2-methoxyethyl]benzenesulfonamide
CID 90623112
N-[2-methoxy-2-(2-methylphenyl)ethyl]-2-nitrobenzenesulfonamide
CID 90598879
(2S)-3-[(2-chloro-5-nitrophenyl)sulfonylamino]-2-hydroxypropanoic acid
CID 107835207
2-chloro-N-(2-cyanopropyl)-4-nitrobenzenesulfonamide
CID 62653496
N-(2-methoxy-2-phenylethyl)-3-methyl-4-nitroaniline
CID 78895934
3,5-dichloro-2-hydroxy-N-[2-methoxy-2-(4-methoxyphenyl)ethyl]benzenesulfonamide
CID 166396048
2-chloro-5-nitro-N-(2-phenylpropyl)aniline
CID 43718780

Frequently Asked Questions

What is the IUPAC name of 2,3-dichloro-N-[(2R)-2-methoxy-2-phenylethyl]-5-nitrobenzenesulfonamide?
The IUPAC name of 2,3-dichloro-N-[(2R)-2-methoxy-2-phenylethyl]-5-nitrobenzenesulfonamide (CID 100763252) is 2,3-dichloro-N-[(2R)-2-methoxy-2-phenylethyl]-5-nitrobenzenesulfonamide.
What is the SMILES notation for 2,3-dichloro-N-[(2R)-2-methoxy-2-phenylethyl]-5-nitrobenzenesulfonamide?
The canonical SMILES for 2,3-dichloro-N-[(2R)-2-methoxy-2-phenylethyl]-5-nitrobenzenesulfonamide is CO[C@@H](CNS(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1Cl)c1ccccc1.
What is the InChIKey of 2,3-dichloro-N-[(2R)-2-methoxy-2-phenylethyl]-5-nitrobenzenesulfonamide?
The InChIKey is MQZPRWDQPBXLIA-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H14Cl2N2O5S/c1-24-13(10-5-3-2-4-6-10)9-18-25(22,23)14-8-11(19(20)21)7-12(16)15(14)17/h2-8,13,18H,9H2,1H3/t13-/m0/s1.
What are the key properties of 2,3-dichloro-N-[(2R)-2-methoxy-2-phenylethyl]-5-nitrobenzenesulfonamide?
2,3-dichloro-N-[(2R)-2-methoxy-2-phenylethyl]-5-nitrobenzenesulfonamide has a molecular weight of 405.26 g/mol, XLogP of 3.57, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dichloro-N-[(2R)-2-methoxy-2-phenylethyl]-5-nitrobenzenesulfonamide is sourced from PubChem (CID 100763252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).