2-[(3-nitrophenyl)sulfonylamino]-N-propylbenzamide

C16H17N3O5S — CID 2966829

IUPAC2-[(3-nitrophenyl)sulfonylamino]-N-propylbenzamide
SMILESCCCNC(=O)c1ccccc1NS(=O)(=O)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C16H17N3O5S/c1-2-10-17-16(20)14-8-3-4-9-15(14)18-25(23,24)13-7-5-6-12(11-13)19(21)22/h3-9,11,18H,2,10H2,1H3,(H,17,20)
InChIKeyVDLCEFPRQKOQOS-UHFFFAOYSA-N
MW363.40 g/mol
LogP2.54
Rot. Bonds7

About 2-[(3-nitrophenyl)sulfonylamino]-N-propylbenzamide

2-[(3-nitrophenyl)sulfonylamino]-N-propylbenzamide (PubChem CID 2966829) has the molecular formula C16H17N3O5S and a molecular weight of 363.40 g/mol. Its IUPAC name is 2-[(3-nitrophenyl)sulfonylamino]-N-propylbenzamide.

Molecular Properties

Compound Name2-[(3-nitrophenyl)sulfonylamino]-N-propylbenzamide
PubChem CID2966829
Molecular FormulaC16H17N3O5S
Molecular Weight363.40 g/mol
Exact Mass363.09
IUPAC Name2-[(3-nitrophenyl)sulfonylamino]-N-propylbenzamide
SMILESCCCNC(=O)c1ccccc1NS(=O)(=O)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C16H17N3O5S/c1-2-10-17-16(20)14-8-3-4-9-15(14)18-25(23,24)13-7-5-6-12(11-13)19(21)22/h3-9,11,18H,2,10H2,1H3,(H,17,20)
InChIKeyVDLCEFPRQKOQOS-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

2-[(2-methyl-5-nitrophenyl)sulfonylamino]-N-propylbenzamide
CID 40690037
2-[(3-nitrophenyl)methylsulfonylamino]-N-propylbenzamide
CID 28635564
N-[2-[[(2-fluorobenzoyl)amino]carbamoyl]phenyl]-3-nitrobenzenesulfonamide
CID 55362792
4-[(3-nitrophenyl)sulfonylamino]-N-propylbenzamide
CID 18104911
2-[(2,3-dimethyl-5-nitrophenyl)sulfonylamino]-N-propylbenzamide
CID 24510149
N-[(3-methoxyphenyl)methyl]-2-[(3-nitrophenyl)sulfonylamino]benzamide
CID 26549411
N,N-bis(2-methoxyethyl)-2-[(3-nitrophenyl)sulfonylamino]benzamide
CID 55531044
2-[(3-nitrophenyl)sulfonylamino]-N-(1-phenylethyl)benzamide
CID 2968335
2-[(3-nitrophenyl)sulfonylamino]-N-[3-(2-oxoazepan-1-yl)propyl]benzamide
CID 46613626
2-[(3-acetamido-4-methoxyphenyl)sulfonylamino]-N-propylbenzamide
CID 4792730
(4-nitrophenyl)methyl 2-[(3-nitrophenyl)sulfonylamino]benzoate
CID 16595511
N-butyl-2-(naphthalen-2-ylsulfonylamino)benzamide
CID 2219434

Frequently Asked Questions

What is the IUPAC name of 2-[(3-nitrophenyl)sulfonylamino]-N-propylbenzamide?
The IUPAC name of 2-[(3-nitrophenyl)sulfonylamino]-N-propylbenzamide (CID 2966829) is 2-[(3-nitrophenyl)sulfonylamino]-N-propylbenzamide.
What is the SMILES notation for 2-[(3-nitrophenyl)sulfonylamino]-N-propylbenzamide?
The canonical SMILES for 2-[(3-nitrophenyl)sulfonylamino]-N-propylbenzamide is CCCNC(=O)c1ccccc1NS(=O)(=O)c1cccc([N+](=O)[O-])c1.
What is the InChIKey of 2-[(3-nitrophenyl)sulfonylamino]-N-propylbenzamide?
The InChIKey is VDLCEFPRQKOQOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O5S/c1-2-10-17-16(20)14-8-3-4-9-15(14)18-25(23,24)13-7-5-6-12(11-13)19(21)22/h3-9,11,18H,2,10H2,1H3,(H,17,20).
What are the key properties of 2-[(3-nitrophenyl)sulfonylamino]-N-propylbenzamide?
2-[(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 2-[(3-nitrophenyl)sulfonylamino]-N-propylbenzamide is sourced from PubChem (CID 2966829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).