2-amino-N-(4-hydroxycyclohexyl)-6-methylbenzenesulfonamide

C13H20N2O3S — CID 43452355

IUPAC2-amino-N-(4-hydroxycyclohexyl)-6-methylbenzenesulfonamide
SMILESCc1cccc(N)c1S(=O)(=O)NC1CCC(O)CC1
InChIInChI=1S/C13H20N2O3S/c1-9-3-2-4-12(14)13(9)19(17,18)15-10-5-7-11(16)8-6-10/h2-4,10-11,15-16H,5-8,14H2,1H3
InChIKeyMJCDFKXIBSTFIB-UHFFFAOYSA-N
MW284.38 g/mol
LogP1.16
Rot. Bonds3

About 2-amino-N-(4-hydroxycyclohexyl)-6-methylbenzenesulfonamide

2-amino-N-(4-hydroxycyclohexyl)-6-methylbenzenesulfonamide (PubChem CID 43452355) has the molecular formula C13H20N2O3S and a molecular weight of 284.38 g/mol. Its IUPAC name is 2-amino-N-(4-hydroxycyclohexyl)-6-methylbenzenesulfonamide.

Molecular Properties

Compound Name2-amino-N-(4-hydroxycyclohexyl)-6-methylbenzenesulfonamide
PubChem CID43452355
Molecular FormulaC13H20N2O3S
Molecular Weight284.38 g/mol
Exact Mass284.12
IUPAC Name2-amino-N-(4-hydroxycyclohexyl)-6-methylbenzenesulfonamide
SMILESCc1cccc(N)c1S(=O)(=O)NC1CCC(O)CC1
InChIInChI=1S/C13H20N2O3S/c1-9-3-2-4-12(14)13(9)19(17,18)15-10-5-7-11(16)8-6-10/h2-4,10-11,15-16H,5-8,14H2,1H3
InChIKeyMJCDFKXIBSTFIB-UHFFFAOYSA-N
XLogP1.16
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 51.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(4-hydroxycyclohexyl)-6-methylbenzenesulfonamide?
The IUPAC name of 2-amino-N-(4-hydroxycyclohexyl)-6-methylbenzenesulfonamide (CID 43452355) is 2-amino-N-(4-hydroxycyclohexyl)-6-methylbenzenesulfonamide.
What is the SMILES notation for 2-amino-N-(4-hydroxycyclohexyl)-6-methylbenzenesulfonamide?
The canonical SMILES for 2-amino-N-(4-hydroxycyclohexyl)-6-methylbenzenesulfonamide is Cc1cccc(N)c1S(=O)(=O)NC1CCC(O)CC1.
What is the InChIKey of 2-amino-N-(4-hydroxycyclohexyl)-6-methylbenzenesulfonamide?
The InChIKey is MJCDFKXIBSTFIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3S/c1-9-3-2-4-12(14)13(9)19(17,18)15-10-5-7-11(16)8-6-10/h2-4,10-11,15-16H,5-8,14H2,1H3.
What are the key properties of 2-amino-N-(4-hydroxycyclohexyl)-6-methylbenzenesulfonamide?
2-amino-N-(4-hydroxycyclohexyl)-6-methylbenzenesulfonamide has a molecular weight of 284.38 g/mol, XLogP of 1.16, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(4-hydroxycyclohexyl)-6-methylbenzenesulfonamide is sourced from PubChem (CID 43452355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).