5-amino-N-[1-(hydroxymethyl)cyclohexyl]-2-methoxybenzenesulfonamide

C14H22N2O4S — CID 62527437

IUPAC5-amino-N-[1-(hydroxymethyl)cyclohexyl]-2-methoxybenzenesulfonamide
SMILESCOc1ccc(N)cc1S(=O)(=O)NC1(CO)CCCCC1
InChIInChI=1S/C14H22N2O4S/c1-20-12-6-5-11(15)9-13(12)21(18,19)16-14(10-17)7-3-2-4-8-14/h5-6,9,16-17H,2-4,7-8,10,15H2,1H3
InChIKeyFETFRIQQKCUTPZ-UHFFFAOYSA-N
MW314.41 g/mol
LogP1.25
Rot. Bonds5

About 5-amino-N-[1-(hydroxymethyl)cyclohexyl]-2-methoxybenzenesulfonamide

5-amino-N-[1-(hydroxymethyl)cyclohexyl]-2-methoxybenzenesulfonamide (PubChem CID 62527437) has the molecular formula C14H22N2O4S and a molecular weight of 314.41 g/mol. Its IUPAC name is 5-amino-N-[1-(hydroxymethyl)cyclohexyl]-2-methoxybenzenesulfonamide.

Molecular Properties

Compound Name5-amino-N-[1-(hydroxymethyl)cyclohexyl]-2-methoxybenzenesulfonamide
PubChem CID62527437
Molecular FormulaC14H22N2O4S
Molecular Weight314.41 g/mol
Exact Mass314.13
IUPAC Name5-amino-N-[1-(hydroxymethyl)cyclohexyl]-2-methoxybenzenesulfonamide
SMILESCOc1ccc(N)cc1S(=O)(=O)NC1(CO)CCCCC1
InChIInChI=1S/C14H22N2O4S/c1-20-12-6-5-11(15)9-13(12)21(18,19)16-14(10-17)7-3-2-4-8-14/h5-6,9,16-17H,2-4,7-8,10,15H2,1H3
InChIKeyFETFRIQQKCUTPZ-UHFFFAOYSA-N
XLogP1.25
TPSA101.65 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 51.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[1-(hydroxymethyl)cyclohexyl]-2-methoxybenzenesulfonamide?
The IUPAC name of 5-amino-N-[1-(hydroxymethyl)cyclohexyl]-2-methoxybenzenesulfonamide (CID 62527437) is 5-amino-N-[1-(hydroxymethyl)cyclohexyl]-2-methoxybenzenesulfonamide.
What is the SMILES notation for 5-amino-N-[1-(hydroxymethyl)cyclohexyl]-2-methoxybenzenesulfonamide?
The canonical SMILES for 5-amino-N-[1-(hydroxymethyl)cyclohexyl]-2-methoxybenzenesulfonamide is COc1ccc(N)cc1S(=O)(=O)NC1(CO)CCCCC1.
What is the InChIKey of 5-amino-N-[1-(hydroxymethyl)cyclohexyl]-2-methoxybenzenesulfonamide?
The InChIKey is FETFRIQQKCUTPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O4S/c1-20-12-6-5-11(15)9-13(12)21(18,19)16-14(10-17)7-3-2-4-8-14/h5-6,9,16-17H,2-4,7-8,10,15H2,1H3.
What are the key properties of 5-amino-N-[1-(hydroxymethyl)cyclohexyl]-2-methoxybenzenesulfonamide?
5-amino-N-[1-(hydroxymethyl)cyclohexyl]-2-methoxybenzenesulfonamide has a molecular weight of 314.41 g/mol, XLogP of 1.25, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[1-(hydroxymethyl)cyclohexyl]-2-methoxybenzenesulfonamide is sourced from PubChem (CID 62527437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).