3-(4-chlorophenyl)sulfonyl-N-(2-methyl-3-nitrophenyl)propanamide

C16H15ClN2O5S — CID 2547725

IUPAC3-(4-chlorophenyl)sulfonyl-N-(2-methyl-3-nitrophenyl)propanamide
SMILESCc1c(NC(=O)CCS(=O)(=O)c2ccc(Cl)cc2)cccc1[N+](=O)[O-]
InChIInChI=1S/C16H15ClN2O5S/c1-11-14(3-2-4-15(11)19(21)22)18-16(20)9-10-25(23,24)13-7-5-12(17)6-8-13/h2-8H,9-10H2,1H3,(H,18,20)
InChIKeyOCQVIDHLYMADPR-UHFFFAOYSA-N
MW382.83 g/mol
LogP3.36
Rot. Bonds6

About 3-(4-chlorophenyl)sulfonyl-N-(2-methyl-3-nitrophenyl)propanamide

3-(4-chlorophenyl)sulfonyl-N-(2-methyl-3-nitrophenyl)propanamide (PubChem CID 2547725) has the molecular formula C16H15ClN2O5S and a molecular weight of 382.83 g/mol. Its IUPAC name is 3-(4-chlorophenyl)sulfonyl-N-(2-methyl-3-nitrophenyl)propanamide.

Molecular Properties

Compound Name3-(4-chlorophenyl)sulfonyl-N-(2-methyl-3-nitrophenyl)propanamide
PubChem CID2547725
Molecular FormulaC16H15ClN2O5S
Molecular Weight382.83 g/mol
Exact Mass382.04
IUPAC Name3-(4-chlorophenyl)sulfonyl-N-(2-methyl-3-nitrophenyl)propanamide
SMILESCc1c(NC(=O)CCS(=O)(=O)c2ccc(Cl)cc2)cccc1[N+](=O)[O-]
InChIInChI=1S/C16H15ClN2O5S/c1-11-14(3-2-4-15(11)19(21)22)18-16(20)9-10-25(23,24)13-7-5-12(17)6-8-13/h2-8H,9-10H2,1H3,(H,18,20)
InChIKeyOCQVIDHLYMADPR-UHFFFAOYSA-N
XLogP3.36
TPSA106.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.83
LogP ≤ 53.36
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

3-[1-(4-chlorophenyl)ethylamino]-N-(2-methyl-3-nitrophenyl)propanamide
CID 86917898
4-amino-N-(2-methyl-3-nitrophenyl)butanamide;hydrochloride
CID 119264091
4-methyl-N-(2-methyl-3-nitrophenyl)pentanamide
CID 4800327
3-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-N-(2-methyl-3-nitrophenyl)propanamide
CID 46518150
2-[benzyl-(4-chlorophenyl)sulfonylamino]-N-(2-methyl-3-nitrophenyl)acetamide
CID 26796718
N-(2-methyl-3-nitrophenyl)-2-propylsulfonylacetamide
CID 47379973
2-(2,4-dichloro-N-methylsulfonylanilino)-N-(2-methyl-3-nitrophenyl)acetamide
CID 2226538
2-(4-chloro-2-methylanilino)-N-(2-methyl-3-nitrophenyl)acetamide
CID 26507122
3-(4-chlorophenyl)sulfonyl-N-(4-nitrophenyl)propanamide
CID 7254314
3-(4-chlorophenyl)sulfonyl-N-(2-propoxyphenyl)propanamide
CID 26898062
3-(4-chlorophenyl)sulfonyl-N-(2-phenylphenyl)propanamide
CID 18076702
N-(2-methyl-3-nitrophenyl)-4-(2-nitrophenoxy)butanamide
CID 84549848

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)sulfonyl-N-(2-methyl-3-nitrophenyl)propanamide?
The IUPAC name of 3-(4-chlorophenyl)sulfonyl-N-(2-methyl-3-nitrophenyl)propanamide (CID 2547725) is 3-(4-chlorophenyl)sulfonyl-N-(2-methyl-3-nitrophenyl)propanamide.
What is the SMILES notation for 3-(4-chlorophenyl)sulfonyl-N-(2-methyl-3-nitrophenyl)propanamide?
The canonical SMILES for 3-(4-chlorophenyl)sulfonyl-N-(2-methyl-3-nitrophenyl)propanamide is Cc1c(NC(=O)CCS(=O)(=O)c2ccc(Cl)cc2)cccc1[N+](=O)[O-].
What is the InChIKey of 3-(4-chlorophenyl)sulfonyl-N-(2-methyl-3-nitrophenyl)propanamide?
The InChIKey is OCQVIDHLYMADPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN2O5S/c1-11-14(3-2-4-15(11)19(21)22)18-16(20)9-10-25(23,24)13-7-5-12(17)6-8-13/h2-8H,9-10H2,1H3,(H,18,20).
What are the key properties of 3-(4-chlorophenyl)sulfonyl-N-(2-methyl-3-nitrophenyl)propanamide?
3-(4-chlorophenyl)sulfonyl-N-(2-methyl-3-nitrophenyl)propanamide has a molecular weight of 382.83 g/mol, XLogP of 3.36, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)sulfonyl-N-(2-methyl-3-nitrophenyl)propanamide is sourced from PubChem (CID 2547725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).