2-amino-N-(4-hydroxycyclohexyl)-4-methoxybenzenesulfonamide

C13H20N2O4S — CID 29037342

IUPAC2-amino-N-(4-hydroxycyclohexyl)-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NC2CCC(O)CC2)c(N)c1
InChIInChI=1S/C13H20N2O4S/c1-19-11-6-7-13(12(14)8-11)20(17,18)15-9-2-4-10(16)5-3-9/h6-10,15-16H,2-5,14H2,1H3
InChIKeyBQFZFVHZGHWPFK-UHFFFAOYSA-N
MW300.38 g/mol
LogP0.86
Rot. Bonds4

About 2-amino-N-(4-hydroxycyclohexyl)-4-methoxybenzenesulfonamide

2-amino-N-(4-hydroxycyclohexyl)-4-methoxybenzenesulfonamide (PubChem CID 29037342) has the molecular formula C13H20N2O4S and a molecular weight of 300.38 g/mol. Its IUPAC name is 2-amino-N-(4-hydroxycyclohexyl)-4-methoxybenzenesulfonamide.

Molecular Properties

Compound Name2-amino-N-(4-hydroxycyclohexyl)-4-methoxybenzenesulfonamide
PubChem CID29037342
Molecular FormulaC13H20N2O4S
Molecular Weight300.38 g/mol
Exact Mass300.11
IUPAC Name2-amino-N-(4-hydroxycyclohexyl)-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NC2CCC(O)CC2)c(N)c1
InChIInChI=1S/C13H20N2O4S/c1-19-11-6-7-13(12(14)8-11)20(17,18)15-9-2-4-10(16)5-3-9/h6-10,15-16H,2-5,14H2,1H3
InChIKeyBQFZFVHZGHWPFK-UHFFFAOYSA-N
XLogP0.86
TPSA101.65 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 50.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-amino-4-methoxy-N-(1-methylpyrrolidin-3-yl)benzenesulfonamide
CID 61462084
2-amino-N-[(3-hydroxycyclopentyl)methyl]-4-methoxybenzenesulfonamide
CID 106119187
4-(2-amino-4-methoxyanilino)cyclohexan-1-ol
CID 18509700
1-(2-amino-4-methoxyphenyl)sulfonylazetidin-3-ol
CID 107212187
3-amino-4-(cyclopropylsulfamoyl)benzoic acid
CID 81471410
2,5-dimethoxy-N-(4-methylcyclohexyl)benzenesulfonamide
CID 17377849
2-amino-N-cyclobutyl-4-methylbenzenesulfonamide
CID 62414526
2-amino-4-methoxy-N-pentan-3-ylbenzenesulfonamide
CID 29273537
2-bromo-N-(4-hydroxycyclohexyl)-4-methylbenzenesulfonamide
CID 43417293
2-amino-4-methoxy-N-[(2-methylcyclopropyl)methyl]benzenesulfonamide
CID 115597756
4-methoxy-2-methyl-N-(1-methylpiperidin-4-yl)benzenesulfonamide
CID 110736336
2-amino-N-[(2S)-1-hydroxybutan-2-yl]-4-methoxybenzenesulfonamide
CID 93081199

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(4-hydroxycyclohexyl)-4-methoxybenzenesulfonamide?
The IUPAC name of 2-amino-N-(4-hydroxycyclohexyl)-4-methoxybenzenesulfonamide (CID 29037342) is 2-amino-N-(4-hydroxycyclohexyl)-4-methoxybenzenesulfonamide.
What is the SMILES notation for 2-amino-N-(4-hydroxycyclohexyl)-4-methoxybenzenesulfonamide?
The canonical SMILES for 2-amino-N-(4-hydroxycyclohexyl)-4-methoxybenzenesulfonamide is COc1ccc(S(=O)(=O)NC2CCC(O)CC2)c(N)c1.
What is the InChIKey of 2-amino-N-(4-hydroxycyclohexyl)-4-methoxybenzenesulfonamide?
The InChIKey is BQFZFVHZGHWPFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O4S/c1-19-11-6-7-13(12(14)8-11)20(17,18)15-9-2-4-10(16)5-3-9/h6-10,15-16H,2-5,14H2,1H3.
What are the key properties of 2-amino-N-(4-hydroxycyclohexyl)-4-methoxybenzenesulfonamide?
2-amino-N-(4-hydroxycyclohexyl)-4-methoxybenzenesulfonamide has a molecular weight of 300.38 g/mol, XLogP of 0.86, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(4-hydroxycyclohexyl)-4-methoxybenzenesulfonamide is sourced from PubChem (CID 29037342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).