4-amino-3-[cyclohexyl(2-hydroxyethyl)amino]benzenesulfonamide

C14H23N3O3S — CID 82900365

IUPAC4-amino-3-[cyclohexyl(2-hydroxyethyl)amino]benzenesulfonamide
SMILESNc1ccc(S(N)(=O)=O)cc1N(CCO)C1CCCCC1
InChIInChI=1S/C14H23N3O3S/c15-13-7-6-12(21(16,19)20)10-14(13)17(8-9-18)11-4-2-1-3-5-11/h6-7,10-11,18H,1-5,8-9,15H2,(H2,16,19,20)
InChIKeyWCFWHAJQDSPNAL-UHFFFAOYSA-N
MW313.42 g/mol
LogP1.05
Rot. Bonds5

About 4-amino-3-[cyclohexyl(2-hydroxyethyl)amino]benzenesulfonamide

4-amino-3-[cyclohexyl(2-hydroxyethyl)amino]benzenesulfonamide (PubChem CID 82900365) has the molecular formula C14H23N3O3S and a molecular weight of 313.42 g/mol. Its IUPAC name is 4-amino-3-[cyclohexyl(2-hydroxyethyl)amino]benzenesulfonamide.

Molecular Properties

Compound Name4-amino-3-[cyclohexyl(2-hydroxyethyl)amino]benzenesulfonamide
PubChem CID82900365
Molecular FormulaC14H23N3O3S
Molecular Weight313.42 g/mol
Exact Mass313.15
IUPAC Name4-amino-3-[cyclohexyl(2-hydroxyethyl)amino]benzenesulfonamide
SMILESNc1ccc(S(N)(=O)=O)cc1N(CCO)C1CCCCC1
InChIInChI=1S/C14H23N3O3S/c15-13-7-6-12(21(16,19)20)10-14(13)17(8-9-18)11-4-2-1-3-5-11/h6-7,10-11,18H,1-5,8-9,15H2,(H2,16,19,20)
InChIKeyWCFWHAJQDSPNAL-UHFFFAOYSA-N
XLogP1.05
TPSA109.65 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.42
LogP ≤ 51.05
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

3-amino-4-[cyclopropyl(2-hydroxyethyl)amino]benzenesulfonamide
CID 54995094
4-amino-3-[cyclopropyl(ethyl)amino]benzenesulfonamide
CID 82907914
2-(2-amino-N-cyclobutyl-5-fluoroanilino)ethanol
CID 102859536
5-amino-3-[cyclopentyl(2-hydroxyethyl)amino]-2-methylbenzenesulfonamide
CID 79900402
4-amino-3-[cyclopropyl(furan-2-ylmethyl)amino]benzenesulfonamide
CID 82900371
4-amino-3-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]benzenesulfonamide
CID 107478271
4-amino-3-[cyclopropyl(2-hydroxyethyl)amino]-N,N-dimethylbenzamide
CID 63360938
2-(4-amino-N-cyclopentyl-2-iodoanilino)ethanol
CID 66095606
2-(4-amino-N-cyclohexyl-2,6-difluoroanilino)ethanol
CID 54993772
2-(N-cyclobutyl-4-methylsulfonyl-2-nitroanilino)ethanol
CID 102675195
2-(3-amino-N-cyclopentyl-4-nitroanilino)ethanol
CID 106751554
2-[N-cyclobutyl-2-(hydroxymethyl)-4-nitroanilino]ethanol
CID 102864279

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-[cyclohexyl(2-hydroxyethyl)amino]benzenesulfonamide?
The IUPAC name of 4-amino-3-[cyclohexyl(2-hydroxyethyl)amino]benzenesulfonamide (CID 82900365) is 4-amino-3-[cyclohexyl(2-hydroxyethyl)amino]benzenesulfonamide.
What is the SMILES notation for 4-amino-3-[cyclohexyl(2-hydroxyethyl)amino]benzenesulfonamide?
The canonical SMILES for 4-amino-3-[cyclohexyl(2-hydroxyethyl)amino]benzenesulfonamide is Nc1ccc(S(N)(=O)=O)cc1N(CCO)C1CCCCC1.
What is the InChIKey of 4-amino-3-[cyclohexyl(2-hydroxyethyl)amino]benzenesulfonamide?
The InChIKey is WCFWHAJQDSPNAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3S/c15-13-7-6-12(21(16,19)20)10-14(13)17(8-9-18)11-4-2-1-3-5-11/h6-7,10-11,18H,1-5,8-9,15H2,(H2,16,19,20).
What are the key properties of 4-amino-3-[cyclohexyl(2-hydroxyethyl)amino]benzenesulfonamide?
4-amino-3-[cyclohexyl(2-hydroxyethyl)amino]benzenesulfonamide has a molecular weight of 313.42 g/mol, XLogP of 1.05, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-[cyclohexyl(2-hydroxyethyl)amino]benzenesulfonamide is sourced from PubChem (CID 82900365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).