N-butoxy-3-nitrobenzenesulfonamide

C10H14N2O5S — CID 5152388

IUPACN-butoxy-3-nitrobenzenesulfonamide
SMILESCCCCONS(=O)(=O)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C10H14N2O5S/c1-2-3-7-17-11-18(15,16)10-6-4-5-9(8-10)12(13)14/h4-6,8,11H,2-3,7H2,1H3
InChIKeyOULRMTAIEJIDCM-UHFFFAOYSA-N
MW274.30 g/mol
LogP1.60
Rot. Bonds7

About N-butoxy-3-nitrobenzenesulfonamide

N-butoxy-3-nitrobenzenesulfonamide (PubChem CID 5152388) has the molecular formula C10H14N2O5S and a molecular weight of 274.30 g/mol. Its IUPAC name is N-butoxy-3-nitrobenzenesulfonamide.

Molecular Properties

Compound NameN-butoxy-3-nitrobenzenesulfonamide
PubChem CID5152388
Molecular FormulaC10H14N2O5S
Molecular Weight274.30 g/mol
Exact Mass274.06
IUPAC NameN-butoxy-3-nitrobenzenesulfonamide
SMILESCCCCONS(=O)(=O)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C10H14N2O5S/c1-2-3-7-17-11-18(15,16)10-6-4-5-9(8-10)12(13)14/h4-6,8,11H,2-3,7H2,1H3
InChIKeyOULRMTAIEJIDCM-UHFFFAOYSA-N
XLogP1.60
TPSA98.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.30
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-nitro-N-octylbenzenesulfonamide
CID 19681347
N-(2-hydroxypentyl)-3-nitrobenzenesulfonamide
CID 104626179
N'-methyl-3-nitrobenzenesulfonohydrazide
CID 67127032
N-[2-(4-methoxyphenoxy)ethyl]-3-nitrobenzenesulfonamide
CID 2900733
silver 3-nitrobenzenesulfonate
CID 139842266
N'-(benzenesulfonyl)-3-nitrobenzenesulfonohydrazide
CID 100974954
2-[(3-nitrophenyl)sulfonylamino]-N-propylbenzamide
CID 2966829
ethylcarbamoyl 3-nitrobenzenesulfonate
CID 175569373
N-(2-methoxyphenyl)-3-nitrobenzenesulfonamide
CID 2834884
N-(2,5-dimethoxyphenyl)-3-nitrobenzenesulfonamide
CID 2885763
butyl N-[4-[(3-nitrophenyl)sulfamoyl]phenyl]carbamate
CID 2248452
N,N-diethyl-4-methoxy-3-[(3-nitrophenyl)sulfonylamino]benzenesulfonamide
CID 2952239

Frequently Asked Questions

What is the IUPAC name of N-butoxy-3-nitrobenzenesulfonamide?
The IUPAC name of N-butoxy-3-nitrobenzenesulfonamide (CID 5152388) is N-butoxy-3-nitrobenzenesulfonamide.
What is the SMILES notation for N-butoxy-3-nitrobenzenesulfonamide?
The canonical SMILES for N-butoxy-3-nitrobenzenesulfonamide is CCCCONS(=O)(=O)c1cccc([N+](=O)[O-])c1.
What is the InChIKey of N-butoxy-3-nitrobenzenesulfonamide?
The InChIKey is OULRMTAIEJIDCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O5S/c1-2-3-7-17-11-18(15,16)10-6-4-5-9(8-10)12(13)14/h4-6,8,11H,2-3,7H2,1H3.
What are the key properties of N-butoxy-3-nitrobenzenesulfonamide?
N-butoxy-3-nitrobenzenesulfonamide has a molecular weight of 274.30 g/mol, XLogP of 1.60, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-butoxy-3-nitrobenzenesulfonamide is sourced from PubChem (CID 5152388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).