N-[4-(azepan-4-ylamino)phenyl]ethanesulfonamide

C14H23N3O2S — CID 103981671

IUPACN-[4-(azepan-4-ylamino)phenyl]ethanesulfonamide
SMILESCCS(=O)(=O)Nc1ccc(NC2CCCNCC2)cc1
InChIInChI=1S/C14H23N3O2S/c1-2-20(18,19)17-14-7-5-13(6-8-14)16-12-4-3-10-15-11-9-12/h5-8,12,15-17H,2-4,9-11H2,1H3
InChIKeyFHWJUFYVQUSJOI-UHFFFAOYSA-N
MW297.42 g/mol
LogP2.00
Rot. Bonds5

About N-[4-(azepan-4-ylamino)phenyl]ethanesulfonamide

N-[4-(azepan-4-ylamino)phenyl]ethanesulfonamide (PubChem CID 103981671) has the molecular formula C14H23N3O2S and a molecular weight of 297.42 g/mol. Its IUPAC name is N-[4-(azepan-4-ylamino)phenyl]ethanesulfonamide.

Molecular Properties

Compound NameN-[4-(azepan-4-ylamino)phenyl]ethanesulfonamide
PubChem CID103981671
Molecular FormulaC14H23N3O2S
Molecular Weight297.42 g/mol
Exact Mass297.15
IUPAC NameN-[4-(azepan-4-ylamino)phenyl]ethanesulfonamide
SMILESCCS(=O)(=O)Nc1ccc(NC2CCCNCC2)cc1
InChIInChI=1S/C14H23N3O2S/c1-2-20(18,19)17-14-7-5-13(6-8-14)16-12-4-3-10-15-11-9-12/h5-8,12,15-17H,2-4,9-11H2,1H3
InChIKeyFHWJUFYVQUSJOI-UHFFFAOYSA-N
XLogP2.00
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 52.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(cycloheptylamino)phenyl]ethanesulfonamide
CID 60932393
[4-(azepan-4-ylamino)phenyl]methanesulfonamide
CID 103981467
N-(4-butan-2-ylphenyl)azepan-4-amine
CID 103981065
N-[4-[(3-methylcyclobutyl)amino]phenyl]ethanesulfonamide
CID 104860205
N-(4-ethylphenyl)piperidin-4-amine
CID 43829435
1-[4-(azepan-4-ylamino)phenyl]-3-methylurea
CID 103981461
N-(4-propoxyphenyl)piperidin-4-amine
CID 62327639
N-[2-(azepan-4-ylamino)phenyl]methanesulfonamide
CID 103981459
4-N-tert-butyl-1-N-piperidin-4-ylbenzene-1,4-diamine
CID 71251070
N-[4-(ethylsulfonylamino)phenyl]pyrrolidine-2-carboxamide
CID 60946168
N-[4-(ethylsulfonylamino)phenyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119282547
N-[4-(propylsulfonylamino)phenyl]piperidine-3-carboxamide
CID 119306484

Frequently Asked Questions

What is the IUPAC name of N-[4-(azepan-4-ylamino)phenyl]ethanesulfonamide?
The IUPAC name of N-[4-(azepan-4-ylamino)phenyl]ethanesulfonamide (CID 103981671) is N-[4-(azepan-4-ylamino)phenyl]ethanesulfonamide.
What is the SMILES notation for N-[4-(azepan-4-ylamino)phenyl]ethanesulfonamide?
The canonical SMILES for N-[4-(azepan-4-ylamino)phenyl]ethanesulfonamide is CCS(=O)(=O)Nc1ccc(NC2CCCNCC2)cc1.
What is the InChIKey of N-[4-(azepan-4-ylamino)phenyl]ethanesulfonamide?
The InChIKey is FHWJUFYVQUSJOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2S/c1-2-20(18,19)17-14-7-5-13(6-8-14)16-12-4-3-10-15-11-9-12/h5-8,12,15-17H,2-4,9-11H2,1H3.
What are the key properties of N-[4-(azepan-4-ylamino)phenyl]ethanesulfonamide?
N-[4-(azepan-4-ylamino)phenyl]ethanesulfonamide has a molecular weight of 297.42 g/mol, XLogP of 2.00, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(azepan-4-ylamino)phenyl]ethanesulfonamide is sourced from PubChem (CID 103981671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).