2-amino-N-[(3-hydroxycyclohexyl)methyl]benzenesulfonamide

C13H20N2O3S — CID 104859262

IUPAC2-amino-N-[(3-hydroxycyclohexyl)methyl]benzenesulfonamide
SMILESNc1ccccc1S(=O)(=O)NCC1CCCC(O)C1
InChIInChI=1S/C13H20N2O3S/c14-12-6-1-2-7-13(12)19(17,18)15-9-10-4-3-5-11(16)8-10/h1-2,6-7,10-11,15-16H,3-5,8-9,14H2
InChIKeyUOOIPTVGSQBOFG-UHFFFAOYSA-N
MW284.38 g/mol
LogP1.10
Rot. Bonds4

About 2-amino-N-[(3-hydroxycyclohexyl)methyl]benzenesulfonamide

2-amino-N-[(3-hydroxycyclohexyl)methyl]benzenesulfonamide (PubChem CID 104859262) has the molecular formula C13H20N2O3S and a molecular weight of 284.38 g/mol. Its IUPAC name is 2-amino-N-[(3-hydroxycyclohexyl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name2-amino-N-[(3-hydroxycyclohexyl)methyl]benzenesulfonamide
PubChem CID104859262
Molecular FormulaC13H20N2O3S
Molecular Weight284.38 g/mol
Exact Mass284.12
IUPAC Name2-amino-N-[(3-hydroxycyclohexyl)methyl]benzenesulfonamide
SMILESNc1ccccc1S(=O)(=O)NCC1CCCC(O)C1
InChIInChI=1S/C13H20N2O3S/c14-12-6-1-2-7-13(12)19(17,18)15-9-10-4-3-5-11(16)8-10/h1-2,6-7,10-11,15-16H,3-5,8-9,14H2
InChIKeyUOOIPTVGSQBOFG-UHFFFAOYSA-N
XLogP1.10
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 51.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-[(3-hydroxycyclopentyl)methyl]benzenesulfonamide
CID 103270335
2-amino-N-[(3-methylcyclohexyl)methyl]benzenesulfonamide
CID 104859207
2-amino-5-bromo-N-[(3-hydroxycyclohexyl)methyl]benzenesulfonamide
CID 106119313
5-amino-2-chloro-N-[(3-hydroxycyclohexyl)methyl]benzenesulfonamide
CID 106119339
3-amino-2,4-difluoro-N-[(3-hydroxycyclohexyl)methyl]benzenesulfonamide
CID 106119335
5-amino-3-bromo-2-fluoro-N-[(3-hydroxycyclohexyl)methyl]benzenesulfonamide
CID 106119387
5-amino-3-chloro-2-fluoro-N-[(3-hydroxycyclohexyl)methyl]benzenesulfonamide
CID 106119384
N-[(3-hydroxycyclohexyl)methyl]pyridine-3-sulfonamide
CID 113318540
5-chloro-N-[(3-hydroxycyclohexyl)methyl]-2-methylbenzenesulfonamide
CID 103835873
1-(4-aminophenyl)-N-[(3-hydroxycyclohexyl)methyl]methanesulfonamide
CID 106119368
2-amino-N-[(3-hydroxycyclohexyl)methyl]benzamide
CID 103950315
N-[(3-hydroxycyclopentyl)methyl]-2-nitrobenzenesulfonamide
CID 103270198

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(3-hydroxycyclohexyl)methyl]benzenesulfonamide?
The IUPAC name of 2-amino-N-[(3-hydroxycyclohexyl)methyl]benzenesulfonamide (CID 104859262) is 2-amino-N-[(3-hydroxycyclohexyl)methyl]benzenesulfonamide.
What is the SMILES notation for 2-amino-N-[(3-hydroxycyclohexyl)methyl]benzenesulfonamide?
The canonical SMILES for 2-amino-N-[(3-hydroxycyclohexyl)methyl]benzenesulfonamide is Nc1ccccc1S(=O)(=O)NCC1CCCC(O)C1.
What is the InChIKey of 2-amino-N-[(3-hydroxycyclohexyl)methyl]benzenesulfonamide?
The InChIKey is UOOIPTVGSQBOFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3S/c14-12-6-1-2-7-13(12)19(17,18)15-9-10-4-3-5-11(16)8-10/h1-2,6-7,10-11,15-16H,3-5,8-9,14H2.
What are the key properties of 2-amino-N-[(3-hydroxycyclohexyl)methyl]benzenesulfonamide?
2-amino-N-[(3-hydroxycyclohexyl)methyl]benzenesulfonamide has a molecular weight of 284.38 g/mol, XLogP of 1.10, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(3-hydroxycyclohexyl)methyl]benzenesulfonamide is sourced from PubChem (CID 104859262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).