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

C15H13ClN2O5S — CID 7254314

IUPAC3-(4-chlorophenyl)sulfonyl-N-(4-nitrophenyl)propanamide
SMILESO=C(CCS(=O)(=O)c1ccc(Cl)cc1)Nc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C15H13ClN2O5S/c16-11-1-7-14(8-2-11)24(22,23)10-9-15(19)17-12-3-5-13(6-4-12)18(20)21/h1-8H,9-10H2,(H,17,19)
InChIKeyCBLFHLBGUUWACI-UHFFFAOYSA-N
MW368.80 g/mol
LogP3.05
Rot. Bonds6

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

3-(4-chlorophenyl)sulfonyl-N-(4-nitrophenyl)propanamide (PubChem CID 7254314) has the molecular formula C15H13ClN2O5S and a molecular weight of 368.80 g/mol. Its IUPAC name is 3-(4-chlorophenyl)sulfonyl-N-(4-nitrophenyl)propanamide.

Molecular Properties

Compound Name3-(4-chlorophenyl)sulfonyl-N-(4-nitrophenyl)propanamide
PubChem CID7254314
Molecular FormulaC15H13ClN2O5S
Molecular Weight368.80 g/mol
Exact Mass368.02
IUPAC Name3-(4-chlorophenyl)sulfonyl-N-(4-nitrophenyl)propanamide
SMILESO=C(CCS(=O)(=O)c1ccc(Cl)cc1)Nc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C15H13ClN2O5S/c16-11-1-7-14(8-2-11)24(22,23)10-9-15(19)17-12-3-5-13(6-4-12)18(20)21/h1-8H,9-10H2,(H,17,19)
InChIKeyCBLFHLBGUUWACI-UHFFFAOYSA-N
XLogP3.05
TPSA106.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.80
LogP ≤ 53.05
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-(4-chlorophenyl)sulfonyl-N-(4-cyanophenyl)propanamide
CID 26665455
N-(4-butylphenyl)-3-(4-chlorophenyl)sulfonylpropanamide
CID 2477289
3-(4-chlorophenyl)sulfonyl-N-naphthalen-2-ylpropanamide
CID 2902895
[2-(4-chloroanilino)-2-oxoethyl] 3-(4-chlorophenyl)sulfonylpropanoate
CID 17260548
1-(4-chlorophenyl)sulfonyl-3-(4-nitrophenyl)urea
CID 134114974
N-[4-(4-chloroanilino)-4-oxobutyl]-4-(4-nitroanilino)butanamide
CID 55990574
N-(4-chlorophenyl)-N'-[(4-nitrophenyl)methylideneamino]butanediamide
CID 2293023
3-(4-chlorophenyl)sulfonyl-N-(3,4-dimethoxyphenyl)propanamide
CID 46797612
3-(4-chlorophenyl)sulfonyl-N-(2-methyl-3-nitrophenyl)propanamide
CID 2547725
2-(4-ethylsulfonylphenyl)-N-(4-nitrophenyl)acetamide
CID 18587060
4-chloro-N-(4-nitrophenyl)butanamide
CID 4586248
3-(2-chlorophenyl)-N-[4-(4-nitrophenyl)sulfonylphenyl]propanamide
CID 29252079

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)sulfonyl-N-(4-nitrophenyl)propanamide?
The IUPAC name of 3-(4-chlorophenyl)sulfonyl-N-(4-nitrophenyl)propanamide (CID 7254314) is 3-(4-chlorophenyl)sulfonyl-N-(4-nitrophenyl)propanamide.
What is the SMILES notation for 3-(4-chlorophenyl)sulfonyl-N-(4-nitrophenyl)propanamide?
The canonical SMILES for 3-(4-chlorophenyl)sulfonyl-N-(4-nitrophenyl)propanamide is O=C(CCS(=O)(=O)c1ccc(Cl)cc1)Nc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 3-(4-chlorophenyl)sulfonyl-N-(4-nitrophenyl)propanamide?
The InChIKey is CBLFHLBGUUWACI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN2O5S/c16-11-1-7-14(8-2-11)24(22,23)10-9-15(19)17-12-3-5-13(6-4-12)18(20)21/h1-8H,9-10H2,(H,17,19).
What are the key properties of 3-(4-chlorophenyl)sulfonyl-N-(4-nitrophenyl)propanamide?
3-(4-chlorophenyl)sulfonyl-N-(4-nitrophenyl)propanamide has a molecular weight of 368.80 g/mol, XLogP of 3.05, 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-(4-nitrophenyl)propanamide is sourced from PubChem (CID 7254314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).