N-(benzenesulfonamido)-N-(2-phenylsulfanylcyclopentyl)nitramide

C17H19N3O4S2 — CID 140812052

IUPACN-(benzenesulfonamido)-N-(2-phenylsulfanylcyclopentyl)nitramide
SMILESO=[N+]([O-])N(NS(=O)(=O)c1ccccc1)C1CCCC1Sc1ccccc1
InChIInChI=1S/C17H19N3O4S2/c21-20(22)19(18-26(23,24)15-10-5-2-6-11-15)16-12-7-13-17(16)25-14-8-3-1-4-9-14/h1-6,8-11,16-18H,7,12-13H2
InChIKeyUAYNFLPWHRTKRD-UHFFFAOYSA-N
MW393.49 g/mol
LogP3.09
Rot. Bonds7

About N-(benzenesulfonamido)-N-(2-phenylsulfanylcyclopentyl)nitramide

N-(benzenesulfonamido)-N-(2-phenylsulfanylcyclopentyl)nitramide (PubChem CID 140812052) has the molecular formula C17H19N3O4S2 and a molecular weight of 393.49 g/mol. Its IUPAC name is N-(benzenesulfonamido)-N-(2-phenylsulfanylcyclopentyl)nitramide.

Molecular Properties

Compound NameN-(benzenesulfonamido)-N-(2-phenylsulfanylcyclopentyl)nitramide
PubChem CID140812052
Molecular FormulaC17H19N3O4S2
Molecular Weight393.49 g/mol
Exact Mass393.08
IUPAC NameN-(benzenesulfonamido)-N-(2-phenylsulfanylcyclopentyl)nitramide
SMILESO=[N+]([O-])N(NS(=O)(=O)c1ccccc1)C1CCCC1Sc1ccccc1
InChIInChI=1S/C17H19N3O4S2/c21-20(22)19(18-26(23,24)15-10-5-2-6-11-15)16-12-7-13-17(16)25-14-8-3-1-4-9-14/h1-6,8-11,16-18H,7,12-13H2
InChIKeyUAYNFLPWHRTKRD-UHFFFAOYSA-N
XLogP3.09
TPSA92.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.49
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'N-nitroso', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(benzenesulfonamido)-N-(2-phenylsulfanylcyclopentyl)nitramide?
The IUPAC name of N-(benzenesulfonamido)-N-(2-phenylsulfanylcyclopentyl)nitramide (CID 140812052) is N-(benzenesulfonamido)-N-(2-phenylsulfanylcyclopentyl)nitramide.
What is the SMILES notation for N-(benzenesulfonamido)-N-(2-phenylsulfanylcyclopentyl)nitramide?
The canonical SMILES for N-(benzenesulfonamido)-N-(2-phenylsulfanylcyclopentyl)nitramide is O=[N+]([O-])N(NS(=O)(=O)c1ccccc1)C1CCCC1Sc1ccccc1.
What is the InChIKey of N-(benzenesulfonamido)-N-(2-phenylsulfanylcyclopentyl)nitramide?
The InChIKey is UAYNFLPWHRTKRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O4S2/c21-20(22)19(18-26(23,24)15-10-5-2-6-11-15)16-12-7-13-17(16)25-14-8-3-1-4-9-14/h1-6,8-11,16-18H,7,12-13H2.
What are the key properties of N-(benzenesulfonamido)-N-(2-phenylsulfanylcyclopentyl)nitramide?
N-(benzenesulfonamido)-N-(2-phenylsulfanylcyclopentyl)nitramide has a molecular weight of 393.49 g/mol, XLogP of 3.09, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(benzenesulfonamido)-N-(2-phenylsulfanylcyclopentyl)nitramide is sourced from PubChem (CID 140812052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).