2-chloro-N-[2-(cycloheptylamino)ethyl]-4,5-dimethoxybenzenesulfonamide;hydrochloride

C17H28Cl2N2O4S — CID 120711359

IUPAC2-chloro-N-[2-(cycloheptylamino)ethyl]-4,5-dimethoxybenzenesulfonamide;hydrochloride
SMILESCOc1cc(Cl)c(S(=O)(=O)NCCNC2CCCCCC2)cc1OC.Cl
InChIInChI=1S/C17H27ClN2O4S.ClH/c1-23-15-11-14(18)17(12-16(15)24-2)25(21,22)20-10-9-19-13-7-5-3-4-6-8-13;/h11-13,19-20H,3-10H2,1-2H3;1H
InChIKeyPJILKUVZSRNGQB-UHFFFAOYSA-N
MW427.39 g/mol
LogP3.37
Rot. Bonds8

About 2-chloro-N-[2-(cycloheptylamino)ethyl]-4,5-dimethoxybenzenesulfonamide;hydrochloride

2-chloro-N-[2-(cycloheptylamino)ethyl]-4,5-dimethoxybenzenesulfonamide;hydrochloride (PubChem CID 120711359) has the molecular formula C17H28Cl2N2O4S and a molecular weight of 427.39 g/mol. Its IUPAC name is 2-chloro-N-[2-(cycloheptylamino)ethyl]-4,5-dimethoxybenzenesulfonamide;hydrochloride.

Molecular Properties

Compound Name2-chloro-N-[2-(cycloheptylamino)ethyl]-4,5-dimethoxybenzenesulfonamide;hydrochloride
PubChem CID120711359
Molecular FormulaC17H28Cl2N2O4S
Molecular Weight427.39 g/mol
Exact Mass426.11
IUPAC Name2-chloro-N-[2-(cycloheptylamino)ethyl]-4,5-dimethoxybenzenesulfonamide;hydrochloride
SMILESCOc1cc(Cl)c(S(=O)(=O)NCCNC2CCCCCC2)cc1OC.Cl
InChIInChI=1S/C17H27ClN2O4S.ClH/c1-23-15-11-14(18)17(12-16(15)24-2)25(21,22)20-10-9-19-13-7-5-3-4-6-8-13;/h11-13,19-20H,3-10H2,1-2H3;1H
InChIKeyPJILKUVZSRNGQB-UHFFFAOYSA-N
XLogP3.37
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.39
LogP ≤ 53.37
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

4-chloro-N-[2-(cyclopropylamino)ethyl]-2-methoxybenzenesulfonamide
CID 62665519
4-chloro-N-cycloheptyl-2,5-dimethoxybenzenesulfonamide
CID 2200633
2-[(2-chloro-4,5-dimethoxyphenyl)sulfonylamino]acetic acid
CID 120606769
4-chloro-2,5-dimethoxy-N-propylbenzenesulfonamide
CID 2243556
N-[2-(2,4,5-trichlorophenoxy)ethyl]cyclohexanamine
CID 55197238
N-[2-(cycloheptylamino)ethyl]-3-fluoro-4-methoxy-5-nitrobenzenesulfonamide;hydrochloride
CID 120711382
N-[(2-chloro-5-ethoxy-4-methoxyphenyl)methyl]cyclooctanamine
CID 66532495
2,5-dichloro-4-methoxy-N-piperidin-3-ylbenzenesulfonamide;hydrochloride
CID 119964367
N-[2-(cycloheptylamino)ethyl]benzenesulfonamide
CID 78977968
2,5-dichloro-4-methoxy-N-(3-morpholin-4-ylpropyl)benzenesulfonamide
CID 654841
4-[2-(cycloheptylamino)ethylsulfamoyl]-1-methylpyrrole-2-carboxamide;hydrochloride
CID 119987196
N-[2-(cycloheptylamino)ethyl]-3-methylsulfonylbenzenesulfonamide
CID 119987331

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-(cycloheptylamino)ethyl]-4,5-dimethoxybenzenesulfonamide;hydrochloride?
The IUPAC name of 2-chloro-N-[2-(cycloheptylamino)ethyl]-4,5-dimethoxybenzenesulfonamide;hydrochloride (CID 120711359) is 2-chloro-N-[2-(cycloheptylamino)ethyl]-4,5-dimethoxybenzenesulfonamide;hydrochloride.
What is the SMILES notation for 2-chloro-N-[2-(cycloheptylamino)ethyl]-4,5-dimethoxybenzenesulfonamide;hydrochloride?
The canonical SMILES for 2-chloro-N-[2-(cycloheptylamino)ethyl]-4,5-dimethoxybenzenesulfonamide;hydrochloride is COc1cc(Cl)c(S(=O)(=O)NCCNC2CCCCCC2)cc1OC.Cl.
What is the InChIKey of 2-chloro-N-[2-(cycloheptylamino)ethyl]-4,5-dimethoxybenzenesulfonamide;hydrochloride?
The InChIKey is PJILKUVZSRNGQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27ClN2O4S.ClH/c1-23-15-11-14(18)17(12-16(15)24-2)25(21,22)20-10-9-19-13-7-5-3-4-6-8-13;/h11-13,19-20H,3-10H2,1-2H3;1H.
What are the key properties of 2-chloro-N-[2-(cycloheptylamino)ethyl]-4,5-dimethoxybenzenesulfonamide;hydrochloride?
2-chloro-N-[2-(cycloheptylamino)ethyl]-4,5-dimethoxybenzenesulfonamide;hydrochloride has a molecular weight of 427.39 g/mol, XLogP of 3.37, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-(cycloheptylamino)ethyl]-4,5-dimethoxybenzenesulfonamide;hydrochloride is sourced from PubChem (CID 120711359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).