4-amino-3-cycloheptyloxy-N-ethylbenzenesulfonamide

C15H24N2O3S — CID 82902643

IUPAC4-amino-3-cycloheptyloxy-N-ethylbenzenesulfonamide
SMILESCCNS(=O)(=O)c1ccc(N)c(OC2CCCCCC2)c1
InChIInChI=1S/C15H24N2O3S/c1-2-17-21(18,19)13-9-10-14(16)15(11-13)20-12-7-5-3-4-6-8-12/h9-12,17H,2-8,16H2,1H3
InChIKeyYHYXBALXXULKQR-UHFFFAOYSA-N
MW312.44 g/mol
LogP2.67
Rot. Bonds5

About 4-amino-3-cycloheptyloxy-N-ethylbenzenesulfonamide

4-amino-3-cycloheptyloxy-N-ethylbenzenesulfonamide (PubChem CID 82902643) has the molecular formula C15H24N2O3S and a molecular weight of 312.44 g/mol. Its IUPAC name is 4-amino-3-cycloheptyloxy-N-ethylbenzenesulfonamide.

Molecular Properties

Compound Name4-amino-3-cycloheptyloxy-N-ethylbenzenesulfonamide
PubChem CID82902643
Molecular FormulaC15H24N2O3S
Molecular Weight312.44 g/mol
Exact Mass312.15
IUPAC Name4-amino-3-cycloheptyloxy-N-ethylbenzenesulfonamide
SMILESCCNS(=O)(=O)c1ccc(N)c(OC2CCCCCC2)c1
InChIInChI=1S/C15H24N2O3S/c1-2-17-21(18,19)13-9-10-14(16)15(11-13)20-12-7-5-3-4-6-8-12/h9-12,17H,2-8,16H2,1H3
InChIKeyYHYXBALXXULKQR-UHFFFAOYSA-N
XLogP2.67
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-amino-N-ethyl-3-(3-methylcyclohexyl)oxybenzenesulfonamide
CID 82903335
4-amino-3-(3-ethylcyclohexyl)oxy-N-methylbenzenesulfonamide
CID 82903502
2-cyclobutyloxy-5-(ethylsulfamoyl)benzoic acid
CID 69290489
3-amino-4-cycloheptyloxy-N-methylbenzenesulfonamide
CID 61069538
4-amino-N-methyl-3-(2-methylcyclohexyl)oxybenzenesulfonamide
CID 82901248
4-amino-N-ethyl-3-(3-methylbutan-2-yloxy)benzenesulfonamide
CID 82901044
4-amino-N-(cyclopropylmethyl)-3-methoxybenzenesulfonamide
CID 81438601
3-amino-N-(cyclopentylmethyl)-4-ethylbenzenesulfonamide
CID 43370862
4-amino-N-ethyl-3-(2-methylphenoxy)benzenesulfonamide
CID 82903326
4-amino-N-ethyl-3-(2-propoxyethoxy)benzenesulfonamide
CID 82900824
4-amino-N-ethyl-3-[(2-hydroxycyclohexyl)amino]benzenesulfonamide
CID 82898670
4-amino-3-[cyclobutylmethyl(methyl)amino]-N-ethylbenzenesulfonamide
CID 82900867

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-cycloheptyloxy-N-ethylbenzenesulfonamide?
The IUPAC name of 4-amino-3-cycloheptyloxy-N-ethylbenzenesulfonamide (CID 82902643) is 4-amino-3-cycloheptyloxy-N-ethylbenzenesulfonamide.
What is the SMILES notation for 4-amino-3-cycloheptyloxy-N-ethylbenzenesulfonamide?
The canonical SMILES for 4-amino-3-cycloheptyloxy-N-ethylbenzenesulfonamide is CCNS(=O)(=O)c1ccc(N)c(OC2CCCCCC2)c1.
What is the InChIKey of 4-amino-3-cycloheptyloxy-N-ethylbenzenesulfonamide?
The InChIKey is YHYXBALXXULKQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3S/c1-2-17-21(18,19)13-9-10-14(16)15(11-13)20-12-7-5-3-4-6-8-12/h9-12,17H,2-8,16H2,1H3.
What are the key properties of 4-amino-3-cycloheptyloxy-N-ethylbenzenesulfonamide?
4-amino-3-cycloheptyloxy-N-ethylbenzenesulfonamide has a molecular weight of 312.44 g/mol, XLogP of 2.67, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-cycloheptyloxy-N-ethylbenzenesulfonamide is sourced from PubChem (CID 82902643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).