N-[(3-hydroxycyclopentyl)methyl]-2-nitrobenzenesulfonamide

C12H16N2O5S — CID 103270198

IUPACN-[(3-hydroxycyclopentyl)methyl]-2-nitrobenzenesulfonamide
SMILESO=[N+]([O-])c1ccccc1S(=O)(=O)NCC1CCC(O)C1
InChIInChI=1S/C12H16N2O5S/c15-10-6-5-9(7-10)8-13-20(18,19)12-4-2-1-3-11(12)14(16)17/h1-4,9-10,13,15H,5-8H2
InChIKeyNNUCSUXKNDOGRR-UHFFFAOYSA-N
MW300.34 g/mol
LogP1.03
Rot. Bonds5

About N-[(3-hydroxycyclopentyl)methyl]-2-nitrobenzenesulfonamide

N-[(3-hydroxycyclopentyl)methyl]-2-nitrobenzenesulfonamide (PubChem CID 103270198) has the molecular formula C12H16N2O5S and a molecular weight of 300.34 g/mol. Its IUPAC name is N-[(3-hydroxycyclopentyl)methyl]-2-nitrobenzenesulfonamide.

Molecular Properties

Compound NameN-[(3-hydroxycyclopentyl)methyl]-2-nitrobenzenesulfonamide
PubChem CID103270198
Molecular FormulaC12H16N2O5S
Molecular Weight300.34 g/mol
Exact Mass300.08
IUPAC NameN-[(3-hydroxycyclopentyl)methyl]-2-nitrobenzenesulfonamide
SMILESO=[N+]([O-])c1ccccc1S(=O)(=O)NCC1CCC(O)C1
InChIInChI=1S/C12H16N2O5S/c15-10-6-5-9(7-10)8-13-20(18,19)12-4-2-1-3-11(12)14(16)17/h1-4,9-10,13,15H,5-8H2
InChIKeyNNUCSUXKNDOGRR-UHFFFAOYSA-N
XLogP1.03
TPSA109.54 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.34
LogP ≤ 51.03
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-amino-N-[(3-hydroxycyclopentyl)methyl]benzenesulfonamide
CID 103270335
N-[(3-hydroxycyclopentyl)methyl]-4-methyl-3-nitrobenzenesulfonamide
CID 103270306
N-[2-(4-bromocyclohexyl)ethyl]-2-nitrobenzenesulfonamide
CID 171743231
N-[(3-hydroxycyclopentyl)methyl]-2-nitrobenzamide
CID 103280198
4-chloro-N-[(3-hydroxycyclopentyl)methyl]benzenesulfonamide
CID 54351747
N-[2-[(2-nitrophenyl)sulfonylamino]ethyl]cyclopropanecarboxamide
CID 33145151
2-nitro-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]benzenesulfonamide
CID 121108163
2-amino-N-[(3-hydroxycyclohexyl)methyl]benzenesulfonamide
CID 104859262
N-[(3-hydroxycyclobutyl)methyl]-4-methoxy-2-nitrobenzenesulfonamide
CID 66007171
2-nitro-N-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]benzenesulfonamide
CID 16888004
2-nitro-N-[4-[(2-nitrophenyl)sulfonylamino]butyl]benzenesulfonamide
CID 3955828
3,4-difluoro-N-[(3-hydroxycyclopentyl)methyl]benzenesulfonamide
CID 103270285

Frequently Asked Questions

What is the IUPAC name of N-[(3-hydroxycyclopentyl)methyl]-2-nitrobenzenesulfonamide?
The IUPAC name of N-[(3-hydroxycyclopentyl)methyl]-2-nitrobenzenesulfonamide (CID 103270198) is N-[(3-hydroxycyclopentyl)methyl]-2-nitrobenzenesulfonamide.
What is the SMILES notation for N-[(3-hydroxycyclopentyl)methyl]-2-nitrobenzenesulfonamide?
The canonical SMILES for N-[(3-hydroxycyclopentyl)methyl]-2-nitrobenzenesulfonamide is O=[N+]([O-])c1ccccc1S(=O)(=O)NCC1CCC(O)C1.
What is the InChIKey of N-[(3-hydroxycyclopentyl)methyl]-2-nitrobenzenesulfonamide?
The InChIKey is NNUCSUXKNDOGRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O5S/c15-10-6-5-9(7-10)8-13-20(18,19)12-4-2-1-3-11(12)14(16)17/h1-4,9-10,13,15H,5-8H2.
What are the key properties of N-[(3-hydroxycyclopentyl)methyl]-2-nitrobenzenesulfonamide?
N-[(3-hydroxycyclopentyl)methyl]-2-nitrobenzenesulfonamide has a molecular weight of 300.34 g/mol, XLogP of 1.03, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-hydroxycyclopentyl)methyl]-2-nitrobenzenesulfonamide is sourced from PubChem (CID 103270198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).