N-[4-(cycloheptylamino)phenyl]ethanesulfonamide

C15H24N2O2S — CID 60932393

IUPACN-[4-(cycloheptylamino)phenyl]ethanesulfonamide
SMILESCCS(=O)(=O)Nc1ccc(NC2CCCCCC2)cc1
InChIInChI=1S/C15H24N2O2S/c1-2-20(18,19)17-15-11-9-14(10-12-15)16-13-7-5-3-4-6-8-13/h9-13,16-17H,2-8H2,1H3
InChIKeyBTVJMYQPGZXGTH-UHFFFAOYSA-N
MW296.44 g/mol
LogP3.58
Rot. Bonds5

About N-[4-(cycloheptylamino)phenyl]ethanesulfonamide

N-[4-(cycloheptylamino)phenyl]ethanesulfonamide (PubChem CID 60932393) has the molecular formula C15H24N2O2S and a molecular weight of 296.44 g/mol. Its IUPAC name is N-[4-(cycloheptylamino)phenyl]ethanesulfonamide.

Molecular Properties

Compound NameN-[4-(cycloheptylamino)phenyl]ethanesulfonamide
PubChem CID60932393
Molecular FormulaC15H24N2O2S
Molecular Weight296.44 g/mol
Exact Mass296.16
IUPAC NameN-[4-(cycloheptylamino)phenyl]ethanesulfonamide
SMILESCCS(=O)(=O)Nc1ccc(NC2CCCCCC2)cc1
InChIInChI=1S/C15H24N2O2S/c1-2-20(18,19)17-15-11-9-14(10-12-15)16-13-7-5-3-4-6-8-13/h9-13,16-17H,2-8H2,1H3
InChIKeyBTVJMYQPGZXGTH-UHFFFAOYSA-N
XLogP3.58
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(azepan-4-ylamino)phenyl]ethanesulfonamide
CID 103981671
N-[4-[(3-methylcyclobutyl)amino]phenyl]ethanesulfonamide
CID 104860205
N-(4-ethylphenyl)cyclododecanamine
CID 63422898
N-[4-(cyclopentylamino)phenyl]-4-methylbenzenesulfonamide
CID 70598205
4-(cyclohexylamino)benzenesulfonic acid
CID 141225645
N-[4-(cyclohexylamino)phenyl]propanamide
CID 43720651
N-[4-(cyclooctylamino)phenyl]propanamide
CID 43720606
4-(cycloheptylamino)-N-propan-2-ylbenzenesulfonamide
CID 43454160
4-(cyclohexylamino)-N-propan-2-ylbenzenesulfonamide
CID 43454130
N-[4-[[4-(cyclopentylamino)phenyl]sulfamoyl]phenyl]acetamide
CID 112980678
N-[4-(cyclohexylamino)phenyl]thiophene-2-sulfonamide
CID 112980784
4-(cyclohexylamino)-N-ethylbenzamide
CID 43728555

Frequently Asked Questions

What is the IUPAC name of N-[4-(cycloheptylamino)phenyl]ethanesulfonamide?
The IUPAC name of N-[4-(cycloheptylamino)phenyl]ethanesulfonamide (CID 60932393) is N-[4-(cycloheptylamino)phenyl]ethanesulfonamide.
What is the SMILES notation for N-[4-(cycloheptylamino)phenyl]ethanesulfonamide?
The canonical SMILES for N-[4-(cycloheptylamino)phenyl]ethanesulfonamide is CCS(=O)(=O)Nc1ccc(NC2CCCCCC2)cc1.
What is the InChIKey of N-[4-(cycloheptylamino)phenyl]ethanesulfonamide?
The InChIKey is BTVJMYQPGZXGTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2S/c1-2-20(18,19)17-15-11-9-14(10-12-15)16-13-7-5-3-4-6-8-13/h9-13,16-17H,2-8H2,1H3.
What are the key properties of N-[4-(cycloheptylamino)phenyl]ethanesulfonamide?
N-[4-(cycloheptylamino)phenyl]ethanesulfonamide has a molecular weight of 296.44 g/mol, XLogP of 3.58, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(cycloheptylamino)phenyl]ethanesulfonamide is sourced from PubChem (CID 60932393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).