2-amino-N-[(2R)-2-hydroxypropyl]-N-(4-methylcyclohexyl)benzenesulfonamide

C16H26N2O3S — CID 124928374

IUPAC2-amino-N-[(2R)-2-hydroxypropyl]-N-(4-methylcyclohexyl)benzenesulfonamide
SMILESCC1CCC(N(C[C@@H](C)O)S(=O)(=O)c2ccccc2N)CC1
InChIInChI=1S/C16H26N2O3S/c1-12-7-9-14(10-8-12)18(11-13(2)19)22(20,21)16-6-4-3-5-15(16)17/h3-6,12-14,19H,7-11,17H2,1-2H3/t12?,13-,14?/m1/s1
InChIKeyYGOIXJHHWCOOOI-ROKHWSDSSA-N
MW326.46 g/mol
LogP2.22
Rot. Bonds5

About 2-amino-N-[(2R)-2-hydroxypropyl]-N-(4-methylcyclohexyl)benzenesulfonamide

2-amino-N-[(2R)-2-hydroxypropyl]-N-(4-methylcyclohexyl)benzenesulfonamide (PubChem CID 124928374) has the molecular formula C16H26N2O3S and a molecular weight of 326.46 g/mol. Its IUPAC name is 2-amino-N-[(2R)-2-hydroxypropyl]-N-(4-methylcyclohexyl)benzenesulfonamide.

Molecular Properties

Compound Name2-amino-N-[(2R)-2-hydroxypropyl]-N-(4-methylcyclohexyl)benzenesulfonamide
PubChem CID124928374
Molecular FormulaC16H26N2O3S
Molecular Weight326.46 g/mol
Exact Mass326.17
IUPAC Name2-amino-N-[(2R)-2-hydroxypropyl]-N-(4-methylcyclohexyl)benzenesulfonamide
SMILESCC1CCC(N(C[C@@H](C)O)S(=O)(=O)c2ccccc2N)CC1
InChIInChI=1S/C16H26N2O3S/c1-12-7-9-14(10-8-12)18(11-13(2)19)22(20,21)16-6-4-3-5-15(16)17/h3-6,12-14,19H,7-11,17H2,1-2H3/t12?,13-,14?/m1/s1
InChIKeyYGOIXJHHWCOOOI-ROKHWSDSSA-N
XLogP2.22
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.46
LogP ≤ 52.22
H-Bond Donors ≤ 52
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-[(2R)-2-hydroxypropyl]-N-(4-methylcyclohexyl)benzenesulfonamide?
The IUPAC name of 2-amino-N-[(2R)-2-hydroxypropyl]-N-(4-methylcyclohexyl)benzenesulfonamide (CID 124928374) is 2-amino-N-[(2R)-2-hydroxypropyl]-N-(4-methylcyclohexyl)benzenesulfonamide.
What is the SMILES notation for 2-amino-N-[(2R)-2-hydroxypropyl]-N-(4-methylcyclohexyl)benzenesulfonamide?
The canonical SMILES for 2-amino-N-[(2R)-2-hydroxypropyl]-N-(4-methylcyclohexyl)benzenesulfonamide is CC1CCC(N(C[C@@H](C)O)S(=O)(=O)c2ccccc2N)CC1.
What is the InChIKey of 2-amino-N-[(2R)-2-hydroxypropyl]-N-(4-methylcyclohexyl)benzenesulfonamide?
The InChIKey is YGOIXJHHWCOOOI-ROKHWSDSSA-N. The full InChI is InChI=1S/C16H26N2O3S/c1-12-7-9-14(10-8-12)18(11-13(2)19)22(20,21)16-6-4-3-5-15(16)17/h3-6,12-14,19H,7-11,17H2,1-2H3/t12?,13-,14?/m1/s1.
What are the key properties of 2-amino-N-[(2R)-2-hydroxypropyl]-N-(4-methylcyclohexyl)benzenesulfonamide?
2-amino-N-[(2R)-2-hydroxypropyl]-N-(4-methylcyclohexyl)benzenesulfonamide has a molecular weight of 326.46 g/mol, XLogP of 2.22, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(2R)-2-hydroxypropyl]-N-(4-methylcyclohexyl)benzenesulfonamide is sourced from PubChem (CID 124928374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).