2-chloro-N'-[2-chloro-5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]ethanimidamide

C17H17Cl2N3O2S — CID 169367214

IUPAC2-chloro-N'-[2-chloro-5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]ethanimidamide
SMILESN/C(CCl)=N/c1cc(S(=O)(=O)N2CCCc3ccccc32)ccc1Cl
InChIInChI=1S/C17H17Cl2N3O2S/c18-11-17(20)21-15-10-13(7-8-14(15)19)25(23,24)22-9-3-5-12-4-1-2-6-16(12)22/h1-2,4,6-8,10H,3,5,9,11H2,(H2,20,21)
InChIKeyBWLQUQQDYWRXIF-UHFFFAOYSA-N
MW398.32 g/mol
LogP3.71
Rot. Bonds4

About 2-chloro-N'-[2-chloro-5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]ethanimidamide

2-chloro-N'-[2-chloro-5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]ethanimidamide (PubChem CID 169367214) has the molecular formula C17H17Cl2N3O2S and a molecular weight of 398.32 g/mol. Its IUPAC name is 2-chloro-N'-[2-chloro-5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]ethanimidamide.

Molecular Properties

Compound Name2-chloro-N'-[2-chloro-5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]ethanimidamide
PubChem CID169367214
Molecular FormulaC17H17Cl2N3O2S
Molecular Weight398.32 g/mol
Exact Mass397.04
IUPAC Name2-chloro-N'-[2-chloro-5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]ethanimidamide
SMILESN/C(CCl)=N/c1cc(S(=O)(=O)N2CCCc3ccccc32)ccc1Cl
InChIInChI=1S/C17H17Cl2N3O2S/c18-11-17(20)21-15-10-13(7-8-14(15)19)25(23,24)22-9-3-5-12-4-1-2-6-16(12)22/h1-2,4,6-8,10H,3,5,9,11H2,(H2,20,21)
InChIKeyBWLQUQQDYWRXIF-UHFFFAOYSA-N
XLogP3.71
TPSA75.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.32
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzoate
CID 2342108
N-butyl-2-chloro-5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzamide
CID 18106238
ethyl N-[2-chloro-5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]carbamate
CID 58794318
2-[2-chloro-5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]isoindole-1,3-dione
CID 168517724
4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-2-fluoroaniline
CID 82845024
3-[2-chloro-5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)anilino]propane-1,2-diol
CID 168596404
2-chloro-5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-(2-hydroxyphenyl)benzamide
CID 43036265
3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzenesulfonamide
CID 31064364
1-(3,4-dichlorophenyl)-3-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]thiourea
CID 25237380
[2-chloro-5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]-(4-propan-2-ylpiperazin-1-yl)methanone
CID 55589053
N-(3-acetamidophenyl)-2-chloro-5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzamide
CID 26114555
4-chloro-3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzoate
CID 8831578

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N'-[2-chloro-5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]ethanimidamide?
The IUPAC name of 2-chloro-N'-[2-chloro-5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]ethanimidamide (CID 169367214) is 2-chloro-N'-[2-chloro-5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]ethanimidamide.
What is the SMILES notation for 2-chloro-N'-[2-chloro-5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]ethanimidamide?
The canonical SMILES for 2-chloro-N'-[2-chloro-5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]ethanimidamide is N/C(CCl)=N/c1cc(S(=O)(=O)N2CCCc3ccccc32)ccc1Cl.
What is the InChIKey of 2-chloro-N'-[2-chloro-5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]ethanimidamide?
The InChIKey is BWLQUQQDYWRXIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17Cl2N3O2S/c18-11-17(20)21-15-10-13(7-8-14(15)19)25(23,24)22-9-3-5-12-4-1-2-6-16(12)22/h1-2,4,6-8,10H,3,5,9,11H2,(H2,20,21).
What are the key properties of 2-chloro-N'-[2-chloro-5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]ethanimidamide?
2-chloro-N'-[2-chloro-5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]ethanimidamide has a molecular weight of 398.32 g/mol, XLogP of 3.71, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N'-[2-chloro-5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]ethanimidamide is sourced from PubChem (CID 169367214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).