N-cycloheptyl-3-nitrobenzenesulfonamide

C13H18N2O4S — CID 19203727

IUPACN-cycloheptyl-3-nitrobenzenesulfonamide
SMILESO=[N+]([O-])c1cccc(S(=O)(=O)NC2CCCCCC2)c1
InChIInChI=1S/C13H18N2O4S/c16-15(17)12-8-5-9-13(10-12)20(18,19)14-11-6-3-1-2-4-7-11/h5,8-11,14H,1-4,6-7H2
InChIKeyAXHCTWBEOCJWOG-UHFFFAOYSA-N
MW298.36 g/mol
LogP2.60
Rot. Bonds4

About N-cycloheptyl-3-nitrobenzenesulfonamide

N-cycloheptyl-3-nitrobenzenesulfonamide (PubChem CID 19203727) has the molecular formula C13H18N2O4S and a molecular weight of 298.36 g/mol. Its IUPAC name is N-cycloheptyl-3-nitrobenzenesulfonamide.

Molecular Properties

Compound NameN-cycloheptyl-3-nitrobenzenesulfonamide
PubChem CID19203727
Molecular FormulaC13H18N2O4S
Molecular Weight298.36 g/mol
Exact Mass298.10
IUPAC NameN-cycloheptyl-3-nitrobenzenesulfonamide
SMILESO=[N+]([O-])c1cccc(S(=O)(=O)NC2CCCCCC2)c1
InChIInChI=1S/C13H18N2O4S/c16-15(17)12-8-5-9-13(10-12)20(18,19)14-11-6-3-1-2-4-7-11/h5,8-11,14H,1-4,6-7H2
InChIKeyAXHCTWBEOCJWOG-UHFFFAOYSA-N
XLogP2.60
TPSA89.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.36
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

N-(2-bromocyclohexyl)-3-nitrobenzenesulfonamide
CID 106441042
N-(2-aminocyclopropyl)-3-nitrobenzenesulfonamide
CID 43596907
N-cyclooctyl-3-methylbenzenesulfonamide
CID 2497018
N-cyclohexyl-3-methylsulfonylbenzenesulfonamide
CID 6462647
N-cyclooctyl-3-fluorobenzenesulfonamide
CID 26948335
2-chloro-N-cyclohexyl-5-nitrobenzenesulfonamide
CID 4115562
N-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-3-nitrobenzenesulfonamide
CID 11905784
N-cyclohexyl-3-(methylamino)-4-nitrobenzenesulfonamide
CID 82845956
3-(4-bromophenyl)sulfonyl-N-cyclohexylbenzenesulfonamide
CID 1356174
N-cyclohexyl-2-hydrazinyl-5-nitrobenzenesulfonamide
CID 43142170
silver 3-nitrobenzenesulfonate
CID 139842266
N-(azocan-5-yl)-4-nitrobenzenesulfonamide
CID 165494154

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-3-nitrobenzenesulfonamide?
The IUPAC name of N-cycloheptyl-3-nitrobenzenesulfonamide (CID 19203727) is N-cycloheptyl-3-nitrobenzenesulfonamide.
What is the SMILES notation for N-cycloheptyl-3-nitrobenzenesulfonamide?
The canonical SMILES for N-cycloheptyl-3-nitrobenzenesulfonamide is O=[N+]([O-])c1cccc(S(=O)(=O)NC2CCCCCC2)c1.
What is the InChIKey of N-cycloheptyl-3-nitrobenzenesulfonamide?
The InChIKey is AXHCTWBEOCJWOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4S/c16-15(17)12-8-5-9-13(10-12)20(18,19)14-11-6-3-1-2-4-7-11/h5,8-11,14H,1-4,6-7H2.
What are the key properties of N-cycloheptyl-3-nitrobenzenesulfonamide?
N-cycloheptyl-3-nitrobenzenesulfonamide has a molecular weight of 298.36 g/mol, XLogP of 2.60, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-3-nitrobenzenesulfonamide is sourced from PubChem (CID 19203727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).