3-[1-[(2-hydroxycyclohexyl)amino]ethyl]benzenesulfonamide

C14H22N2O3S — CID 62360873

IUPAC3-[1-[(2-hydroxycyclohexyl)amino]ethyl]benzenesulfonamide
SMILESCC(NC1CCCCC1O)c1cccc(S(N)(=O)=O)c1
InChIInChI=1S/C14H22N2O3S/c1-10(16-13-7-2-3-8-14(13)17)11-5-4-6-12(9-11)20(15,18)19/h4-6,9-10,13-14,16-17H,2-3,7-8H2,1H3,(H2,15,18,19)
InChIKeySIGQPZUVFUYZEA-UHFFFAOYSA-N
MW298.41 g/mol
LogP1.29
Rot. Bonds4

About 3-[1-[(2-hydroxycyclohexyl)amino]ethyl]benzenesulfonamide

3-[1-[(2-hydroxycyclohexyl)amino]ethyl]benzenesulfonamide (PubChem CID 62360873) has the molecular formula C14H22N2O3S and a molecular weight of 298.41 g/mol. Its IUPAC name is 3-[1-[(2-hydroxycyclohexyl)amino]ethyl]benzenesulfonamide.

Molecular Properties

Compound Name3-[1-[(2-hydroxycyclohexyl)amino]ethyl]benzenesulfonamide
PubChem CID62360873
Molecular FormulaC14H22N2O3S
Molecular Weight298.41 g/mol
Exact Mass298.14
IUPAC Name3-[1-[(2-hydroxycyclohexyl)amino]ethyl]benzenesulfonamide
SMILESCC(NC1CCCCC1O)c1cccc(S(N)(=O)=O)c1
InChIInChI=1S/C14H22N2O3S/c1-10(16-13-7-2-3-8-14(13)17)11-5-4-6-12(9-11)20(15,18)19/h4-6,9-10,13-14,16-17H,2-3,7-8H2,1H3,(H2,15,18,19)
InChIKeySIGQPZUVFUYZEA-UHFFFAOYSA-N
XLogP1.29
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 51.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-[1-(cyclopentylamino)ethyl]benzenesulfonamide
CID 43756468
3-[1-(cyclobutylamino)ethyl]benzenesulfonamide
CID 62414933
3-[1-[(2,3-dimethylcyclopentyl)amino]ethyl]benzenesulfonamide
CID 64907782
trans-(1S,2S)-2-[1-(3-chlorophenyl)ethylamino]cyclohexan-1-ol
CID 104956148
trans-(1S,2S)-2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]cyclohexan-1-ol
CID 93419082
3-[1-(1-azabicyclo[2.2.2]octan-3-ylamino)ethyl]benzenesulfonamide
CID 43763469
N-[3-[1-[[(1S,2S)-2-hydroxycyclohexyl]amino]ethyl]phenyl]acetamide
CID 104956122
3-[1-(propan-2-ylamino)ethyl]benzenesulfonamide
CID 43232021
N-[3-[1-[(2-hydroxycycloheptyl)amino]ethyl]phenyl]acetamide
CID 60980286
3-[1-[(1-methylpiperidin-4-yl)amino]ethyl]benzenesulfonamide
CID 43775785
trans-(1R,2R)-2-[1-(3-fluorophenyl)ethylamino]cyclopentan-1-ol
CID 102733281
2-[1-(3-chlorophenyl)ethylamino]cyclopentan-1-ol
CID 60713491

Frequently Asked Questions

What is the IUPAC name of 3-[1-[(2-hydroxycyclohexyl)amino]ethyl]benzenesulfonamide?
The IUPAC name of 3-[1-[(2-hydroxycyclohexyl)amino]ethyl]benzenesulfonamide (CID 62360873) is 3-[1-[(2-hydroxycyclohexyl)amino]ethyl]benzenesulfonamide.
What is the SMILES notation for 3-[1-[(2-hydroxycyclohexyl)amino]ethyl]benzenesulfonamide?
The canonical SMILES for 3-[1-[(2-hydroxycyclohexyl)amino]ethyl]benzenesulfonamide is CC(NC1CCCCC1O)c1cccc(S(N)(=O)=O)c1.
What is the InChIKey of 3-[1-[(2-hydroxycyclohexyl)amino]ethyl]benzenesulfonamide?
The InChIKey is SIGQPZUVFUYZEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3S/c1-10(16-13-7-2-3-8-14(13)17)11-5-4-6-12(9-11)20(15,18)19/h4-6,9-10,13-14,16-17H,2-3,7-8H2,1H3,(H2,15,18,19).
What are the key properties of 3-[1-[(2-hydroxycyclohexyl)amino]ethyl]benzenesulfonamide?
3-[1-[(2-hydroxycyclohexyl)amino]ethyl]benzenesulfonamide has a molecular weight of 298.41 g/mol, XLogP of 1.29, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[(2-hydroxycyclohexyl)amino]ethyl]benzenesulfonamide is sourced from PubChem (CID 62360873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).