N-[3-(4-methylphenyl)sulfonyl-2-bicyclo[2.2.1]heptanylidene]hydroxylamine

C14H17NO3S — CID 4247797

IUPACN-[3-(4-methylphenyl)sulfonyl-2-bicyclo[2.2.1]heptanylidene]hydroxylamine
SMILESCc1ccc(S(=O)(=O)C2C(=NO)C3CCC2C3)cc1
InChIInChI=1S/C14H17NO3S/c1-9-2-6-12(7-3-9)19(17,18)14-11-5-4-10(8-11)13(14)15-16/h2-3,6-7,10-11,14,16H,4-5,8H2,1H3
InChIKeyYBLFXXRYJBQTEI-UHFFFAOYSA-N
MW279.36 g/mol
LogP2.40
Rot. Bonds2

About N-[3-(4-methylphenyl)sulfonyl-2-bicyclo[2.2.1]heptanylidene]hydroxylamine

N-[3-(4-methylphenyl)sulfonyl-2-bicyclo[2.2.1]heptanylidene]hydroxylamine (PubChem CID 4247797) has the molecular formula C14H17NO3S and a molecular weight of 279.36 g/mol. Its IUPAC name is N-[3-(4-methylphenyl)sulfonyl-2-bicyclo[2.2.1]heptanylidene]hydroxylamine.

Molecular Properties

Compound NameN-[3-(4-methylphenyl)sulfonyl-2-bicyclo[2.2.1]heptanylidene]hydroxylamine
PubChem CID4247797
Molecular FormulaC14H17NO3S
Molecular Weight279.36 g/mol
Exact Mass279.09
IUPAC NameN-[3-(4-methylphenyl)sulfonyl-2-bicyclo[2.2.1]heptanylidene]hydroxylamine
SMILESCc1ccc(S(=O)(=O)C2C(=NO)C3CCC2C3)cc1
InChIInChI=1S/C14H17NO3S/c1-9-2-6-12(7-3-9)19(17,18)14-11-5-4-10(8-11)13(14)15-16/h2-3,6-7,10-11,14,16H,4-5,8H2,1H3
InChIKeyYBLFXXRYJBQTEI-UHFFFAOYSA-N
XLogP2.40
TPSA66.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.36
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(1R,2S,4S)-2-(4-methylphenyl)sulfonylbicyclo[2.2.1]heptane
CID 102426584
(NZ)-N-[(2S)-2-(4-methylphenyl)sulfonylcyclooctylidene]hydroxylamine
CID 40572407
cis-(1S,2R)-2-(4-methylphenyl)sulfonylcyclopropane-1-carbaldehyde
CID 89149050
trans-(1R,2R)-2-(4-methylphenyl)sulfonylcyclopentan-1-ol
CID 13212964
N-[3-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]-2-bicyclo[2.2.1]heptanylidene]hydroxylamine
CID 5121963
(1S,2R,4R,5R)-3-(4-methylphenyl)sulfonyl-3-azatricyclo[3.2.1.02,4]octane
CID 11471038
(1R,2S,4R,5S)-3-(4-methylphenyl)sulfonyl-3-azatricyclo[3.2.1.02,4]octane
CID 11076294
[(1R,2S)-2-(4-methylphenyl)sulfonylcyclopropyl]methanamine
CID 99999683
2-(4-methylphenyl)sulfonylpiperidine
CID 117036507
N-[(Z)-2-bicyclo[2.2.1]heptanylideneamino]-4-methylbenzenesulfonamide
CID 5465867
N-[(E)-2-bicyclo[2.2.1]heptanylideneamino]-4-methylbenzenesulfonamide
CID 5468231
cis-(1R,2S)-2-(4-methylphenyl)sulfonylcyclopropane-1-carbothioamide
CID 99999892

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-methylphenyl)sulfonyl-2-bicyclo[2.2.1]heptanylidene]hydroxylamine?
The IUPAC name of N-[3-(4-methylphenyl)sulfonyl-2-bicyclo[2.2.1]heptanylidene]hydroxylamine (CID 4247797) is N-[3-(4-methylphenyl)sulfonyl-2-bicyclo[2.2.1]heptanylidene]hydroxylamine.
What is the SMILES notation for N-[3-(4-methylphenyl)sulfonyl-2-bicyclo[2.2.1]heptanylidene]hydroxylamine?
The canonical SMILES for N-[3-(4-methylphenyl)sulfonyl-2-bicyclo[2.2.1]heptanylidene]hydroxylamine is Cc1ccc(S(=O)(=O)C2C(=NO)C3CCC2C3)cc1.
What is the InChIKey of N-[3-(4-methylphenyl)sulfonyl-2-bicyclo[2.2.1]heptanylidene]hydroxylamine?
The InChIKey is YBLFXXRYJBQTEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO3S/c1-9-2-6-12(7-3-9)19(17,18)14-11-5-4-10(8-11)13(14)15-16/h2-3,6-7,10-11,14,16H,4-5,8H2,1H3.
What are the key properties of N-[3-(4-methylphenyl)sulfonyl-2-bicyclo[2.2.1]heptanylidene]hydroxylamine?
N-[3-(4-methylphenyl)sulfonyl-2-bicyclo[2.2.1]heptanylidene]hydroxylamine has a molecular weight of 279.36 g/mol, XLogP of 2.40, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-methylphenyl)sulfonyl-2-bicyclo[2.2.1]heptanylidene]hydroxylamine is sourced from PubChem (CID 4247797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).