4-[(3-nitrophenyl)sulfonylamino]-N-propylbenzamide

C16H17N3O5S — CID 18104911

IUPAC4-[(3-nitrophenyl)sulfonylamino]-N-propylbenzamide
SMILESCCCNC(=O)c1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1
InChIInChI=1S/C16H17N3O5S/c1-2-10-17-16(20)12-6-8-13(9-7-12)18-25(23,24)15-5-3-4-14(11-15)19(21)22/h3-9,11,18H,2,10H2,1H3,(H,17,20)
InChIKeyXBPNOYRMFAONCR-UHFFFAOYSA-N
MW363.40 g/mol
LogP2.54
Rot. Bonds7

About 4-[(3-nitrophenyl)sulfonylamino]-N-propylbenzamide

4-[(3-nitrophenyl)sulfonylamino]-N-propylbenzamide (PubChem CID 18104911) has the molecular formula C16H17N3O5S and a molecular weight of 363.40 g/mol. Its IUPAC name is 4-[(3-nitrophenyl)sulfonylamino]-N-propylbenzamide.

Molecular Properties

Compound Name4-[(3-nitrophenyl)sulfonylamino]-N-propylbenzamide
PubChem CID18104911
Molecular FormulaC16H17N3O5S
Molecular Weight363.40 g/mol
Exact Mass363.09
IUPAC Name4-[(3-nitrophenyl)sulfonylamino]-N-propylbenzamide
SMILESCCCNC(=O)c1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1
InChIInChI=1S/C16H17N3O5S/c1-2-10-17-16(20)12-6-8-13(9-7-12)18-25(23,24)15-5-3-4-14(11-15)19(21)22/h3-9,11,18H,2,10H2,1H3,(H,17,20)
InChIKeyXBPNOYRMFAONCR-UHFFFAOYSA-N
XLogP2.54
TPSA118.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.40
LogP ≤ 52.54
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

4-[(3-nitrophenyl)sulfonylamino]-N-(2-phenylethyl)benzamide
CID 18108738
4-[(3-nitrophenyl)sulfonylamino]-N-pentan-2-ylbenzamide
CID 43016512
N-[3-(N-methylanilino)propyl]-4-[(3-nitrophenyl)sulfonylamino]benzamide
CID 27753837
4-[(3-nitrophenyl)sulfonylamino]-N-(2-phenylbutyl)benzamide
CID 55438238
4-[(3-nitrophenyl)sulfonylamino]-N-(3-phenylsulfanylpropyl)benzamide
CID 27828970
2-[(3-nitrophenyl)sulfonylamino]-N-propylbenzamide
CID 2966829
4-[(3-nitrophenyl)sulfonylamino]-N-(pyridin-4-ylmethyl)benzamide
CID 18107687
N-(3-ethylphenyl)-4-[(3-nitrophenyl)sulfonylamino]benzamide
CID 46650990
N-[4-(3,5-dimethylpiperidin-1-yl)butyl]-4-[(3-nitrophenyl)sulfonylamino]benzamide
CID 55847890
N-(2-ethyl-6-methylphenyl)-4-[(3-nitrophenyl)sulfonylamino]benzamide
CID 112770780
N-(4-fluorophenyl)-4-[(3-nitrophenyl)sulfonylamino]benzamide
CID 26594001
4-methylsulfonyl-N-[2-[(3-nitrophenyl)sulfonylamino]ethyl]benzamide
CID 55542230

Frequently Asked Questions

What is the IUPAC name of 4-[(3-nitrophenyl)sulfonylamino]-N-propylbenzamide?
The IUPAC name of 4-[(3-nitrophenyl)sulfonylamino]-N-propylbenzamide (CID 18104911) is 4-[(3-nitrophenyl)sulfonylamino]-N-propylbenzamide.
What is the SMILES notation for 4-[(3-nitrophenyl)sulfonylamino]-N-propylbenzamide?
The canonical SMILES for 4-[(3-nitrophenyl)sulfonylamino]-N-propylbenzamide is CCCNC(=O)c1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1.
What is the InChIKey of 4-[(3-nitrophenyl)sulfonylamino]-N-propylbenzamide?
The InChIKey is XBPNOYRMFAONCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O5S/c1-2-10-17-16(20)12-6-8-13(9-7-12)18-25(23,24)15-5-3-4-14(11-15)19(21)22/h3-9,11,18H,2,10H2,1H3,(H,17,20).
What are the key properties of 4-[(3-nitrophenyl)sulfonylamino]-N-propylbenzamide?
4-[(3-nitrophenyl)sulfonylamino]-N-propylbenzamide has a molecular weight of 363.40 g/mol, XLogP of 2.54, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-nitrophenyl)sulfonylamino]-N-propylbenzamide is sourced from PubChem (CID 18104911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).