N'-(benzenesulfonyl)-4-chloro-N,N-diethylbenzenecarboximidamide

C17H19ClN2O2S — CID 6020592

IUPACN'-(benzenesulfonyl)-4-chloro-N,N-diethylbenzenecarboximidamide
SMILESCCN(CC)/C(=N\S(=O)(=O)c1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C17H19ClN2O2S/c1-3-20(4-2)17(14-10-12-15(18)13-11-14)19-23(21,22)16-8-6-5-7-9-16/h5-13H,3-4H2,1-2H3/b19-17-
InChIKeyRWQAZUZITNXJDO-ZPHPHTNESA-N
MW350.87 g/mol
LogP3.82
Rot. Bonds5

About N'-(benzenesulfonyl)-4-chloro-N,N-diethylbenzenecarboximidamide

N'-(benzenesulfonyl)-4-chloro-N,N-diethylbenzenecarboximidamide (PubChem CID 6020592) has the molecular formula C17H19ClN2O2S and a molecular weight of 350.87 g/mol. Its IUPAC name is N'-(benzenesulfonyl)-4-chloro-N,N-diethylbenzenecarboximidamide.

Molecular Properties

Compound NameN'-(benzenesulfonyl)-4-chloro-N,N-diethylbenzenecarboximidamide
PubChem CID6020592
Molecular FormulaC17H19ClN2O2S
Molecular Weight350.87 g/mol
Exact Mass350.09
IUPAC NameN'-(benzenesulfonyl)-4-chloro-N,N-diethylbenzenecarboximidamide
SMILESCCN(CC)/C(=N\S(=O)(=O)c1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C17H19ClN2O2S/c1-3-20(4-2)17(14-10-12-15(18)13-11-14)19-23(21,22)16-8-6-5-7-9-16/h5-13H,3-4H2,1-2H3/b19-17-
InChIKeyRWQAZUZITNXJDO-ZPHPHTNESA-N
XLogP3.82
TPSA49.74 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.87
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-(benzenesulfonyl)-4-chloro-N,N-diethylbenzenecarboximidamide?
The IUPAC name of N'-(benzenesulfonyl)-4-chloro-N,N-diethylbenzenecarboximidamide (CID 6020592) is N'-(benzenesulfonyl)-4-chloro-N,N-diethylbenzenecarboximidamide.
What is the SMILES notation for N'-(benzenesulfonyl)-4-chloro-N,N-diethylbenzenecarboximidamide?
The canonical SMILES for N'-(benzenesulfonyl)-4-chloro-N,N-diethylbenzenecarboximidamide is CCN(CC)/C(=N\S(=O)(=O)c1ccccc1)c1ccc(Cl)cc1.
What is the InChIKey of N'-(benzenesulfonyl)-4-chloro-N,N-diethylbenzenecarboximidamide?
The InChIKey is RWQAZUZITNXJDO-ZPHPHTNESA-N. The full InChI is InChI=1S/C17H19ClN2O2S/c1-3-20(4-2)17(14-10-12-15(18)13-11-14)19-23(21,22)16-8-6-5-7-9-16/h5-13H,3-4H2,1-2H3/b19-17-.
What are the key properties of N'-(benzenesulfonyl)-4-chloro-N,N-diethylbenzenecarboximidamide?
N'-(benzenesulfonyl)-4-chloro-N,N-diethylbenzenecarboximidamide has a molecular weight of 350.87 g/mol, XLogP of 3.82, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(benzenesulfonyl)-4-chloro-N,N-diethylbenzenecarboximidamide is sourced from PubChem (CID 6020592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).