N-[2-(cycloheptylamino)ethyl]-4-(2-ethoxyethoxy)benzenesulfonamide;hydrochloride

C19H33ClN2O4S — CID 119987301

IUPACN-[2-(cycloheptylamino)ethyl]-4-(2-ethoxyethoxy)benzenesulfonamide;hydrochloride
SMILESCCOCCOc1ccc(S(=O)(=O)NCCNC2CCCCCC2)cc1.Cl
InChIInChI=1S/C19H32N2O4S.ClH/c1-2-24-15-16-25-18-9-11-19(12-10-18)26(22,23)21-14-13-20-17-7-5-3-4-6-8-17;/h9-12,17,20-21H,2-8,13-16H2,1H3;1H
InChIKeyXJAGGNYXVHZSEH-UHFFFAOYSA-N
MW421.00 g/mol
LogP3.11
Rot. Bonds11

About N-[2-(cycloheptylamino)ethyl]-4-(2-ethoxyethoxy)benzenesulfonamide;hydrochloride

N-[2-(cycloheptylamino)ethyl]-4-(2-ethoxyethoxy)benzenesulfonamide;hydrochloride (PubChem CID 119987301) has the molecular formula C19H33ClN2O4S and a molecular weight of 421.00 g/mol. Its IUPAC name is N-[2-(cycloheptylamino)ethyl]-4-(2-ethoxyethoxy)benzenesulfonamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(cycloheptylamino)ethyl]-4-(2-ethoxyethoxy)benzenesulfonamide;hydrochloride
PubChem CID119987301
Molecular FormulaC19H33ClN2O4S
Molecular Weight421.00 g/mol
Exact Mass420.18
IUPAC NameN-[2-(cycloheptylamino)ethyl]-4-(2-ethoxyethoxy)benzenesulfonamide;hydrochloride
SMILESCCOCCOc1ccc(S(=O)(=O)NCCNC2CCCCCC2)cc1.Cl
InChIInChI=1S/C19H32N2O4S.ClH/c1-2-24-15-16-25-18-9-11-19(12-10-18)26(22,23)21-14-13-20-17-7-5-3-4-6-8-17;/h9-12,17,20-21H,2-8,13-16H2,1H3;1H
InChIKeyXJAGGNYXVHZSEH-UHFFFAOYSA-N
XLogP3.11
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.00
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(cycloheptylamino)ethyl]benzenesulfonamide
CID 78977968
N-[4-[2-(cycloheptylamino)ethylsulfamoyl]phenyl]acetamide;hydrochloride
CID 119987153
N-[4-[2-(cyclohexylamino)ethylamino]butyl]-4-methoxybenzenesulfonamide
CID 139937566
N-[2-(aminomethyl)cyclopentyl]-4-(2-ethoxyethoxy)benzenesulfonamide;hydrochloride
CID 119985886
N-[4-[2-(cyclohexylamino)ethylamino]butyl]-4-(trifluoromethoxy)benzenesulfonamide;dihydrochloride
CID 139937507
N-(2-amino-2-ethylbutyl)-4-(2-ethoxyethoxy)benzenesulfonamide
CID 119990079
1-[4-(2-ethoxyethoxy)phenyl]sulfonyl-N-methylpiperidin-4-amine
CID 119980269
N-(2-amino-1-cyclopropylethyl)-4-(2-ethoxyethoxy)benzenesulfonamide
CID 119986985
N-[2-(cycloheptylamino)ethyl]-4-(2-methoxyethylsulfamoyl)benzamide
CID 119620168
4-[2-(2-ethoxyethoxy)ethoxy]benzenesulfonic acid
CID 20595012
4-ethoxy-N-[2-(methylamino)ethyl]benzenesulfonamide
CID 62657994
4-[2-(cyclopropylamino)ethoxy]-N',N'-dimethylbenzenesulfonohydrazide
CID 106074934

Frequently Asked Questions

What is the IUPAC name of N-[2-(cycloheptylamino)ethyl]-4-(2-ethoxyethoxy)benzenesulfonamide;hydrochloride?
The IUPAC name of N-[2-(cycloheptylamino)ethyl]-4-(2-ethoxyethoxy)benzenesulfonamide;hydrochloride (CID 119987301) is N-[2-(cycloheptylamino)ethyl]-4-(2-ethoxyethoxy)benzenesulfonamide;hydrochloride.
What is the SMILES notation for N-[2-(cycloheptylamino)ethyl]-4-(2-ethoxyethoxy)benzenesulfonamide;hydrochloride?
The canonical SMILES for N-[2-(cycloheptylamino)ethyl]-4-(2-ethoxyethoxy)benzenesulfonamide;hydrochloride is CCOCCOc1ccc(S(=O)(=O)NCCNC2CCCCCC2)cc1.Cl.
What is the InChIKey of N-[2-(cycloheptylamino)ethyl]-4-(2-ethoxyethoxy)benzenesulfonamide;hydrochloride?
The InChIKey is XJAGGNYXVHZSEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2O4S.ClH/c1-2-24-15-16-25-18-9-11-19(12-10-18)26(22,23)21-14-13-20-17-7-5-3-4-6-8-17;/h9-12,17,20-21H,2-8,13-16H2,1H3;1H.
What are the key properties of N-[2-(cycloheptylamino)ethyl]-4-(2-ethoxyethoxy)benzenesulfonamide;hydrochloride?
N-[2-(cycloheptylamino)ethyl]-4-(2-ethoxyethoxy)benzenesulfonamide;hydrochloride has a molecular weight of 421.00 g/mol, XLogP of 3.11, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cycloheptylamino)ethyl]-4-(2-ethoxyethoxy)benzenesulfonamide;hydrochloride is sourced from PubChem (CID 119987301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).