N-[4-(diethylamino)phenyl]methanesulfonamide;hydrochloride

C11H19ClN2O2S — CID 45050507

IUPACN-[4-(diethylamino)phenyl]methanesulfonamide;hydrochloride
SMILESCCN(CC)c1ccc(NS(C)(=O)=O)cc1.Cl
InChIInChI=1S/C11H18N2O2S.ClH/c1-4-13(5-2)11-8-6-10(7-9-11)12-16(3,14)15;/h6-9,12H,4-5H2,1-3H3;1H
InChIKeyOUAVDKDIIMPTHM-UHFFFAOYSA-N
MW278.81 g/mol
LogP2.33
Rot. Bonds5

About N-[4-(diethylamino)phenyl]methanesulfonamide;hydrochloride

N-[4-(diethylamino)phenyl]methanesulfonamide;hydrochloride (PubChem CID 45050507) has the molecular formula C11H19ClN2O2S and a molecular weight of 278.81 g/mol. Its IUPAC name is N-[4-(diethylamino)phenyl]methanesulfonamide;hydrochloride.

Molecular Properties

Compound NameN-[4-(diethylamino)phenyl]methanesulfonamide;hydrochloride
PubChem CID45050507
Molecular FormulaC11H19ClN2O2S
Molecular Weight278.81 g/mol
Exact Mass278.09
IUPAC NameN-[4-(diethylamino)phenyl]methanesulfonamide;hydrochloride
SMILESCCN(CC)c1ccc(NS(C)(=O)=O)cc1.Cl
InChIInChI=1S/C11H18N2O2S.ClH/c1-4-13(5-2)11-8-6-10(7-9-11)12-16(3,14)15;/h6-9,12H,4-5H2,1-3H3;1H
InChIKeyOUAVDKDIIMPTHM-UHFFFAOYSA-N
XLogP2.33
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.81
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

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2,4-dichloro-N-[4-(diethylamino)phenyl]benzenesulfonamide
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Frequently Asked Questions

What is the IUPAC name of N-[4-(diethylamino)phenyl]methanesulfonamide;hydrochloride?
The IUPAC name of N-[4-(diethylamino)phenyl]methanesulfonamide;hydrochloride (CID 45050507) is N-[4-(diethylamino)phenyl]methanesulfonamide;hydrochloride.
What is the SMILES notation for N-[4-(diethylamino)phenyl]methanesulfonamide;hydrochloride?
The canonical SMILES for N-[4-(diethylamino)phenyl]methanesulfonamide;hydrochloride is CCN(CC)c1ccc(NS(C)(=O)=O)cc1.Cl.
What is the InChIKey of N-[4-(diethylamino)phenyl]methanesulfonamide;hydrochloride?
The InChIKey is OUAVDKDIIMPTHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2S.ClH/c1-4-13(5-2)11-8-6-10(7-9-11)12-16(3,14)15;/h6-9,12H,4-5H2,1-3H3;1H.
What are the key properties of N-[4-(diethylamino)phenyl]methanesulfonamide;hydrochloride?
N-[4-(diethylamino)phenyl]methanesulfonamide;hydrochloride has a molecular weight of 278.81 g/mol, XLogP of 2.33, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(diethylamino)phenyl]methanesulfonamide;hydrochloride is sourced from PubChem (CID 45050507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).