4-[1-(cyclohexylamino)ethyl]benzenesulfonamide

C14H22N2O2S — CID 43681895

IUPAC4-[1-(cyclohexylamino)ethyl]benzenesulfonamide
SMILESCC(NC1CCCCC1)c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C14H22N2O2S/c1-11(16-13-5-3-2-4-6-13)12-7-9-14(10-8-12)19(15,17)18/h7-11,13,16H,2-6H2,1H3,(H2,15,17,18)
InChIKeyFSACFEPALDVQRB-UHFFFAOYSA-N
MW282.41 g/mol
LogP2.32
Rot. Bonds4

About 4-[1-(cyclohexylamino)ethyl]benzenesulfonamide

4-[1-(cyclohexylamino)ethyl]benzenesulfonamide (PubChem CID 43681895) has the molecular formula C14H22N2O2S and a molecular weight of 282.41 g/mol. Its IUPAC name is 4-[1-(cyclohexylamino)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[1-(cyclohexylamino)ethyl]benzenesulfonamide
PubChem CID43681895
Molecular FormulaC14H22N2O2S
Molecular Weight282.41 g/mol
Exact Mass282.14
IUPAC Name4-[1-(cyclohexylamino)ethyl]benzenesulfonamide
SMILESCC(NC1CCCCC1)c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C14H22N2O2S/c1-11(16-13-5-3-2-4-6-13)12-7-9-14(10-8-12)19(15,17)18/h7-11,13,16H,2-6H2,1H3,(H2,15,17,18)
InChIKeyFSACFEPALDVQRB-UHFFFAOYSA-N
XLogP2.32
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(4-methylsulfonylphenyl)ethyl]cyclohexanamine
CID 43177189
4-[1-[(4-ethylcyclohexyl)amino]ethyl]benzenesulfonamide
CID 43681869
4-[1-(oxan-3-ylamino)ethyl]benzenesulfonamide
CID 63360384
4-[1-[(3-methoxycyclohexyl)amino]ethyl]benzenesulfonamide
CID 103911415
3-[1-(cyclopentylamino)ethyl]benzenesulfonamide
CID 43756468
4-[1-[(3-ethylcyclopentyl)amino]ethyl]benzenesulfonamide
CID 64502296
3-[1-(cyclobutylamino)ethyl]benzenesulfonamide
CID 62414933
4-[1-(cyclopentylamino)ethyl]aniline
CID 82933347
4-[1-[(2-methylcyclopropyl)amino]ethyl]benzenesulfonamide
CID 62396330
4-[(1S)-1-[[(1S,3R)-3-ethylsulfanylcyclopentyl]amino]ethyl]benzenesulfonamide
CID 97113685
N-(1-phenylethyl)cyclododecanamine
CID 60662638
N-[1-(4-tert-butylphenyl)ethyl]cycloheptanamine
CID 43095672

Frequently Asked Questions

What is the IUPAC name of 4-[1-(cyclohexylamino)ethyl]benzenesulfonamide?
The IUPAC name of 4-[1-(cyclohexylamino)ethyl]benzenesulfonamide (CID 43681895) is 4-[1-(cyclohexylamino)ethyl]benzenesulfonamide.
What is the SMILES notation for 4-[1-(cyclohexylamino)ethyl]benzenesulfonamide?
The canonical SMILES for 4-[1-(cyclohexylamino)ethyl]benzenesulfonamide is CC(NC1CCCCC1)c1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of 4-[1-(cyclohexylamino)ethyl]benzenesulfonamide?
The InChIKey is FSACFEPALDVQRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2S/c1-11(16-13-5-3-2-4-6-13)12-7-9-14(10-8-12)19(15,17)18/h7-11,13,16H,2-6H2,1H3,(H2,15,17,18).
What are the key properties of 4-[1-(cyclohexylamino)ethyl]benzenesulfonamide?
4-[1-(cyclohexylamino)ethyl]benzenesulfonamide has a molecular weight of 282.41 g/mol, XLogP of 2.32, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(cyclohexylamino)ethyl]benzenesulfonamide is sourced from PubChem (CID 43681895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).