5-amino-2-ethoxy-N-[(1-methylcyclopentyl)methyl]benzenesulfonamide

C15H24N2O3S — CID 63831793

IUPAC5-amino-2-ethoxy-N-[(1-methylcyclopentyl)methyl]benzenesulfonamide
SMILESCCOc1ccc(N)cc1S(=O)(=O)NCC1(C)CCCC1
InChIInChI=1S/C15H24N2O3S/c1-3-20-13-7-6-12(16)10-14(13)21(18,19)17-11-15(2)8-4-5-9-15/h6-7,10,17H,3-5,8-9,11,16H2,1-2H3
InChIKeyAXXNXJHOAHWXDL-UHFFFAOYSA-N
MW312.44 g/mol
LogP2.53
Rot. Bonds6

About 5-amino-2-ethoxy-N-[(1-methylcyclopentyl)methyl]benzenesulfonamide

5-amino-2-ethoxy-N-[(1-methylcyclopentyl)methyl]benzenesulfonamide (PubChem CID 63831793) has the molecular formula C15H24N2O3S and a molecular weight of 312.44 g/mol. Its IUPAC name is 5-amino-2-ethoxy-N-[(1-methylcyclopentyl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name5-amino-2-ethoxy-N-[(1-methylcyclopentyl)methyl]benzenesulfonamide
PubChem CID63831793
Molecular FormulaC15H24N2O3S
Molecular Weight312.44 g/mol
Exact Mass312.15
IUPAC Name5-amino-2-ethoxy-N-[(1-methylcyclopentyl)methyl]benzenesulfonamide
SMILESCCOc1ccc(N)cc1S(=O)(=O)NCC1(C)CCCC1
InChIInChI=1S/C15H24N2O3S/c1-3-20-13-7-6-12(16)10-14(13)21(18,19)17-11-15(2)8-4-5-9-15/h6-7,10,17H,3-5,8-9,11,16H2,1-2H3
InChIKeyAXXNXJHOAHWXDL-UHFFFAOYSA-N
XLogP2.53
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 52.53
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

5-amino-2-ethyl-N-[(1-methylcyclopentyl)methyl]benzenesulfonamide
CID 63821839
5-amino-N-butyl-2-ethoxybenzenesulfonamide
CID 43662916
5-amino-N-(2,2-difluoroethyl)-2-ethoxybenzenesulfonamide
CID 113303848
5-amino-N-[2-(dimethylamino)ethyl]-2-ethoxybenzenesulfonamide
CID 43662895
4-amino-2-cyano-N-[(1-methylcyclopentyl)methyl]benzenesulfonamide
CID 63822731
5-amino-2-ethoxy-N-(2-propan-2-yloxyethyl)benzenesulfonamide
CID 104762819
5-amino-2-ethoxy-N-(3-ethylpentan-2-yl)benzenesulfonamide
CID 63836966
5-amino-N-(1-cyclopropylethyl)-2-ethoxybenzenesulfonamide
CID 43662995
5-amino-4-bromo-2-methoxy-N-[(1-methylcyclopentyl)methyl]benzenesulfonamide
CID 81397762
5-amino-2-ethoxy-N-(4-methylpentan-2-yl)benzenesulfonamide
CID 43662989
5-amino-N-(3-bromophenyl)-2-ethoxybenzenesulfonamide
CID 43662937
5-amino-2-ethoxy-N-(2-thiophen-2-ylethyl)benzenesulfonamide
CID 43662942

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-ethoxy-N-[(1-methylcyclopentyl)methyl]benzenesulfonamide?
The IUPAC name of 5-amino-2-ethoxy-N-[(1-methylcyclopentyl)methyl]benzenesulfonamide (CID 63831793) is 5-amino-2-ethoxy-N-[(1-methylcyclopentyl)methyl]benzenesulfonamide.
What is the SMILES notation for 5-amino-2-ethoxy-N-[(1-methylcyclopentyl)methyl]benzenesulfonamide?
The canonical SMILES for 5-amino-2-ethoxy-N-[(1-methylcyclopentyl)methyl]benzenesulfonamide is CCOc1ccc(N)cc1S(=O)(=O)NCC1(C)CCCC1.
What is the InChIKey of 5-amino-2-ethoxy-N-[(1-methylcyclopentyl)methyl]benzenesulfonamide?
The InChIKey is AXXNXJHOAHWXDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3S/c1-3-20-13-7-6-12(16)10-14(13)21(18,19)17-11-15(2)8-4-5-9-15/h6-7,10,17H,3-5,8-9,11,16H2,1-2H3.
What are the key properties of 5-amino-2-ethoxy-N-[(1-methylcyclopentyl)methyl]benzenesulfonamide?
5-amino-2-ethoxy-N-[(1-methylcyclopentyl)methyl]benzenesulfonamide has a molecular weight of 312.44 g/mol, XLogP of 2.53, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-ethoxy-N-[(1-methylcyclopentyl)methyl]benzenesulfonamide is sourced from PubChem (CID 63831793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).