2-amino-4,6-dichloro-N-(4-hydroxycyclohexyl)benzenesulfonamide

C12H16Cl2N2O3S — CID 43255827

IUPAC2-amino-4,6-dichloro-N-(4-hydroxycyclohexyl)benzenesulfonamide
SMILESNc1cc(Cl)cc(Cl)c1S(=O)(=O)NC1CCC(O)CC1
InChIInChI=1S/C12H16Cl2N2O3S/c13-7-5-10(14)12(11(15)6-7)20(18,19)16-8-1-3-9(17)4-2-8/h5-6,8-9,16-17H,1-4,15H2
InChIKeyAMNPDJAPNHOMCN-UHFFFAOYSA-N
MW339.24 g/mol
LogP2.16
Rot. Bonds3

About 2-amino-4,6-dichloro-N-(4-hydroxycyclohexyl)benzenesulfonamide

2-amino-4,6-dichloro-N-(4-hydroxycyclohexyl)benzenesulfonamide (PubChem CID 43255827) has the molecular formula C12H16Cl2N2O3S and a molecular weight of 339.24 g/mol. Its IUPAC name is 2-amino-4,6-dichloro-N-(4-hydroxycyclohexyl)benzenesulfonamide.

Molecular Properties

Compound Name2-amino-4,6-dichloro-N-(4-hydroxycyclohexyl)benzenesulfonamide
PubChem CID43255827
Molecular FormulaC12H16Cl2N2O3S
Molecular Weight339.24 g/mol
Exact Mass338.03
IUPAC Name2-amino-4,6-dichloro-N-(4-hydroxycyclohexyl)benzenesulfonamide
SMILESNc1cc(Cl)cc(Cl)c1S(=O)(=O)NC1CCC(O)CC1
InChIInChI=1S/C12H16Cl2N2O3S/c13-7-5-10(14)12(11(15)6-7)20(18,19)16-8-1-3-9(17)4-2-8/h5-6,8-9,16-17H,1-4,15H2
InChIKeyAMNPDJAPNHOMCN-UHFFFAOYSA-N
XLogP2.16
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.24
LogP ≤ 52.16
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-4,6-dichloro-N-(4-hydroxycyclohexyl)benzenesulfonamide?
The IUPAC name of 2-amino-4,6-dichloro-N-(4-hydroxycyclohexyl)benzenesulfonamide (CID 43255827) is 2-amino-4,6-dichloro-N-(4-hydroxycyclohexyl)benzenesulfonamide.
What is the SMILES notation for 2-amino-4,6-dichloro-N-(4-hydroxycyclohexyl)benzenesulfonamide?
The canonical SMILES for 2-amino-4,6-dichloro-N-(4-hydroxycyclohexyl)benzenesulfonamide is Nc1cc(Cl)cc(Cl)c1S(=O)(=O)NC1CCC(O)CC1.
What is the InChIKey of 2-amino-4,6-dichloro-N-(4-hydroxycyclohexyl)benzenesulfonamide?
The InChIKey is AMNPDJAPNHOMCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16Cl2N2O3S/c13-7-5-10(14)12(11(15)6-7)20(18,19)16-8-1-3-9(17)4-2-8/h5-6,8-9,16-17H,1-4,15H2.
What are the key properties of 2-amino-4,6-dichloro-N-(4-hydroxycyclohexyl)benzenesulfonamide?
2-amino-4,6-dichloro-N-(4-hydroxycyclohexyl)benzenesulfonamide has a molecular weight of 339.24 g/mol, XLogP of 2.16, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4,6-dichloro-N-(4-hydroxycyclohexyl)benzenesulfonamide is sourced from PubChem (CID 43255827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).