4-[(6-chloroquinolin-4-yl)amino]-N-prop-2-enylbenzenesulfonamide

C18H16ClN3O2S — CID 17016636

IUPAC4-[(6-chloroquinolin-4-yl)amino]-N-prop-2-enylbenzenesulfonamide
SMILESC=CCNS(=O)(=O)c1ccc(Nc2ccnc3ccc(Cl)cc23)cc1
InChIInChI=1S/C18H16ClN3O2S/c1-2-10-21-25(23,24)15-6-4-14(5-7-15)22-18-9-11-20-17-8-3-13(19)12-16(17)18/h2-9,11-12,21H,1,10H2,(H,20,22)
InChIKeyAABCSYVISBKCRR-UHFFFAOYSA-N
MW373.87 g/mol
LogP4.10
Rot. Bonds6

About 4-[(6-chloroquinolin-4-yl)amino]-N-prop-2-enylbenzenesulfonamide

4-[(6-chloroquinolin-4-yl)amino]-N-prop-2-enylbenzenesulfonamide (PubChem CID 17016636) has the molecular formula C18H16ClN3O2S and a molecular weight of 373.87 g/mol. Its IUPAC name is 4-[(6-chloroquinolin-4-yl)amino]-N-prop-2-enylbenzenesulfonamide.

Molecular Properties

Compound Name4-[(6-chloroquinolin-4-yl)amino]-N-prop-2-enylbenzenesulfonamide
PubChem CID17016636
Molecular FormulaC18H16ClN3O2S
Molecular Weight373.87 g/mol
Exact Mass373.07
IUPAC Name4-[(6-chloroquinolin-4-yl)amino]-N-prop-2-enylbenzenesulfonamide
SMILESC=CCNS(=O)(=O)c1ccc(Nc2ccnc3ccc(Cl)cc23)cc1
InChIInChI=1S/C18H16ClN3O2S/c1-2-10-21-25(23,24)15-6-4-14(5-7-15)22-18-9-11-20-17-8-3-13(19)12-16(17)18/h2-9,11-12,21H,1,10H2,(H,20,22)
InChIKeyAABCSYVISBKCRR-UHFFFAOYSA-N
XLogP4.10
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.87
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[(6-fluoroquinolin-4-yl)amino]-N-prop-2-enylbenzenesulfonamide
CID 39850795
1-[4-[(7-chloroquinolin-4-yl)amino]phenyl]sulfonyl-3-phenylurea
CID 71530749
6-chloro-N-methylquinolin-4-amine
CID 62192062
N-(4-chlorophenyl)-6-methylsulfinylquinolin-4-amine
CID 118352001
4-[(6-methylsulfonylquinolin-4-yl)amino]phenol
CID 54673836
N-[4-[(6-fluoroquinolin-4-yl)amino]phenyl]-4-(pyridin-4-ylamino)benzenesulfonamide
CID 157043932
N-(4-chlorophenyl)-2-fluoro-5-(prop-2-enylsulfamoyl)benzamide
CID 4085582
N-(4-chloro-3-methoxyphenyl)-6-propan-2-ylsulfonylquinolin-4-amine
CID 54674139
N-(4-ethenylphenyl)-6-methylquinolin-4-amine
CID 157044190
4-[4-[(7-chloroquinolin-4-yl)amino]phenyl]benzoic acid
CID 24757093
6-chloro-N-[2-(trifluoromethyl)phenyl]quinolin-4-amine
CID 17016624
6-fluoro-N-(4-pyrrolidin-1-ylsulfonylphenyl)quinolin-4-amine
CID 39850740

Frequently Asked Questions

What is the IUPAC name of 4-[(6-chloroquinolin-4-yl)amino]-N-prop-2-enylbenzenesulfonamide?
The IUPAC name of 4-[(6-chloroquinolin-4-yl)amino]-N-prop-2-enylbenzenesulfonamide (CID 17016636) is 4-[(6-chloroquinolin-4-yl)amino]-N-prop-2-enylbenzenesulfonamide.
What is the SMILES notation for 4-[(6-chloroquinolin-4-yl)amino]-N-prop-2-enylbenzenesulfonamide?
The canonical SMILES for 4-[(6-chloroquinolin-4-yl)amino]-N-prop-2-enylbenzenesulfonamide is C=CCNS(=O)(=O)c1ccc(Nc2ccnc3ccc(Cl)cc23)cc1.
What is the InChIKey of 4-[(6-chloroquinolin-4-yl)amino]-N-prop-2-enylbenzenesulfonamide?
The InChIKey is AABCSYVISBKCRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN3O2S/c1-2-10-21-25(23,24)15-6-4-14(5-7-15)22-18-9-11-20-17-8-3-13(19)12-16(17)18/h2-9,11-12,21H,1,10H2,(H,20,22).
What are the key properties of 4-[(6-chloroquinolin-4-yl)amino]-N-prop-2-enylbenzenesulfonamide?
4-[(6-chloroquinolin-4-yl)amino]-N-prop-2-enylbenzenesulfonamide has a molecular weight of 373.87 g/mol, XLogP of 4.10, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6-chloroquinolin-4-yl)amino]-N-prop-2-enylbenzenesulfonamide is sourced from PubChem (CID 17016636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).