N-cyclopropyl-3-(furan-2-yl)-4-methyl-5-nitrobenzenesulfonamide

C14H14N2O5S — CID 168524836

IUPACN-cyclopropyl-3-(furan-2-yl)-4-methyl-5-nitrobenzenesulfonamide
SMILESCc1c(-c2ccco2)cc(S(=O)(=O)NC2CC2)cc1[N+](=O)[O-]
InChIInChI=1S/C14H14N2O5S/c1-9-12(14-3-2-6-21-14)7-11(8-13(9)16(17)18)22(19,20)15-10-4-5-10/h2-3,6-8,10,15H,4-5H2,1H3
InChIKeyCPJODHPATYGVCQ-UHFFFAOYSA-N
MW322.34 g/mol
LogP2.60
Rot. Bonds5

About N-cyclopropyl-3-(furan-2-yl)-4-methyl-5-nitrobenzenesulfonamide

N-cyclopropyl-3-(furan-2-yl)-4-methyl-5-nitrobenzenesulfonamide (PubChem CID 168524836) has the molecular formula C14H14N2O5S and a molecular weight of 322.34 g/mol. Its IUPAC name is N-cyclopropyl-3-(furan-2-yl)-4-methyl-5-nitrobenzenesulfonamide.

Molecular Properties

Compound NameN-cyclopropyl-3-(furan-2-yl)-4-methyl-5-nitrobenzenesulfonamide
PubChem CID168524836
Molecular FormulaC14H14N2O5S
Molecular Weight322.34 g/mol
Exact Mass322.06
IUPAC NameN-cyclopropyl-3-(furan-2-yl)-4-methyl-5-nitrobenzenesulfonamide
SMILESCc1c(-c2ccco2)cc(S(=O)(=O)NC2CC2)cc1[N+](=O)[O-]
InChIInChI=1S/C14H14N2O5S/c1-9-12(14-3-2-6-21-14)7-11(8-13(9)16(17)18)22(19,20)15-10-4-5-10/h2-3,6-8,10,15H,4-5H2,1H3
InChIKeyCPJODHPATYGVCQ-UHFFFAOYSA-N
XLogP2.60
TPSA102.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.34
LogP ≤ 52.60
H-Bond Donors ≤ 51
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

3-bromo-4-methyl-5-nitro-N-piperidin-4-ylbenzenesulfonamide;hydrochloride
CID 119960670
4-bromo-3-nitro-N-(oxan-4-yl)benzenesulfonamide
CID 90100934
3-(methylamino)-4-nitro-N-(oxan-4-yl)benzenesulfonamide
CID 82845360
N-cyclohexyl-3-(methylamino)-4-nitrobenzenesulfonamide
CID 82845956
3-bromo-4-methyl-N-(2-methylpiperidin-4-yl)-5-nitrobenzenesulfonamide
CID 120585700
4-fluoro-3-methyl-5-nitro-N-(oxetan-3-yl)benzenesulfonamide
CID 113306312
3-bromo-4-methyl-5-nitro-N-piperidin-3-ylbenzenesulfonamide;hydrochloride
CID 119964387
4-chloro-N-cyclopropyl-2-nitrobenzenesulfonamide
CID 5188456
4-(azetidin-1-yl)-N-(4-methylcyclohexyl)-3-nitrobenzenesulfonamide
CID 25343713
N-cyclopropyl-4-(2-nitroanilino)benzenesulfonamide
CID 118007792
3-methyl-4-nitro-N-pyrrolidin-3-ylbenzenesulfonamide;hydrochloride
CID 119967226
N-(1,1-dioxothiolan-3-yl)-4-methyl-3-nitrobenzenesulfonamide
CID 2876523

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-(furan-2-yl)-4-methyl-5-nitrobenzenesulfonamide?
The IUPAC name of N-cyclopropyl-3-(furan-2-yl)-4-methyl-5-nitrobenzenesulfonamide (CID 168524836) is N-cyclopropyl-3-(furan-2-yl)-4-methyl-5-nitrobenzenesulfonamide.
What is the SMILES notation for N-cyclopropyl-3-(furan-2-yl)-4-methyl-5-nitrobenzenesulfonamide?
The canonical SMILES for N-cyclopropyl-3-(furan-2-yl)-4-methyl-5-nitrobenzenesulfonamide is Cc1c(-c2ccco2)cc(S(=O)(=O)NC2CC2)cc1[N+](=O)[O-].
What is the InChIKey of N-cyclopropyl-3-(furan-2-yl)-4-methyl-5-nitrobenzenesulfonamide?
The InChIKey is CPJODHPATYGVCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O5S/c1-9-12(14-3-2-6-21-14)7-11(8-13(9)16(17)18)22(19,20)15-10-4-5-10/h2-3,6-8,10,15H,4-5H2,1H3.
What are the key properties of N-cyclopropyl-3-(furan-2-yl)-4-methyl-5-nitrobenzenesulfonamide?
N-cyclopropyl-3-(furan-2-yl)-4-methyl-5-nitrobenzenesulfonamide has a molecular weight of 322.34 g/mol, XLogP of 2.60, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-(furan-2-yl)-4-methyl-5-nitrobenzenesulfonamide is sourced from PubChem (CID 168524836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).