4-chloro-N,N-dimethyl-3-[(3-methylquinolin-8-yl)sulfonylamino]benzamide

C19H18ClN3O3S — CID 39833326

IUPAC4-chloro-N,N-dimethyl-3-[(3-methylquinolin-8-yl)sulfonylamino]benzamide
SMILESCc1cnc2c(S(=O)(=O)Nc3cc(C(=O)N(C)C)ccc3Cl)cccc2c1
InChIInChI=1S/C19H18ClN3O3S/c1-12-9-13-5-4-6-17(18(13)21-11-12)27(25,26)22-16-10-14(7-8-15(16)20)19(24)23(2)3/h4-11,22H,1-3H3
InChIKeyFWULQUJFIPNPFX-UHFFFAOYSA-N
MW403.89 g/mol
LogP3.70
Rot. Bonds4

About 4-chloro-N,N-dimethyl-3-[(3-methylquinolin-8-yl)sulfonylamino]benzamide

4-chloro-N,N-dimethyl-3-[(3-methylquinolin-8-yl)sulfonylamino]benzamide (PubChem CID 39833326) has the molecular formula C19H18ClN3O3S and a molecular weight of 403.89 g/mol. Its IUPAC name is 4-chloro-N,N-dimethyl-3-[(3-methylquinolin-8-yl)sulfonylamino]benzamide.

Molecular Properties

Compound Name4-chloro-N,N-dimethyl-3-[(3-methylquinolin-8-yl)sulfonylamino]benzamide
PubChem CID39833326
Molecular FormulaC19H18ClN3O3S
Molecular Weight403.89 g/mol
Exact Mass403.08
IUPAC Name4-chloro-N,N-dimethyl-3-[(3-methylquinolin-8-yl)sulfonylamino]benzamide
SMILESCc1cnc2c(S(=O)(=O)Nc3cc(C(=O)N(C)C)ccc3Cl)cccc2c1
InChIInChI=1S/C19H18ClN3O3S/c1-12-9-13-5-4-6-17(18(13)21-11-12)27(25,26)22-16-10-14(7-8-15(16)20)19(24)23(2)3/h4-11,22H,1-3H3
InChIKeyFWULQUJFIPNPFX-UHFFFAOYSA-N
XLogP3.70
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.89
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N,N-dimethyl-3-[(3-methylquinolin-8-yl)sulfonylamino]benzamide?
The IUPAC name of 4-chloro-N,N-dimethyl-3-[(3-methylquinolin-8-yl)sulfonylamino]benzamide (CID 39833326) is 4-chloro-N,N-dimethyl-3-[(3-methylquinolin-8-yl)sulfonylamino]benzamide.
What is the SMILES notation for 4-chloro-N,N-dimethyl-3-[(3-methylquinolin-8-yl)sulfonylamino]benzamide?
The canonical SMILES for 4-chloro-N,N-dimethyl-3-[(3-methylquinolin-8-yl)sulfonylamino]benzamide is Cc1cnc2c(S(=O)(=O)Nc3cc(C(=O)N(C)C)ccc3Cl)cccc2c1.
What is the InChIKey of 4-chloro-N,N-dimethyl-3-[(3-methylquinolin-8-yl)sulfonylamino]benzamide?
The InChIKey is FWULQUJFIPNPFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN3O3S/c1-12-9-13-5-4-6-17(18(13)21-11-12)27(25,26)22-16-10-14(7-8-15(16)20)19(24)23(2)3/h4-11,22H,1-3H3.
What are the key properties of 4-chloro-N,N-dimethyl-3-[(3-methylquinolin-8-yl)sulfonylamino]benzamide?
4-chloro-N,N-dimethyl-3-[(3-methylquinolin-8-yl)sulfonylamino]benzamide has a molecular weight of 403.89 g/mol, XLogP of 3.70, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N,N-dimethyl-3-[(3-methylquinolin-8-yl)sulfonylamino]benzamide is sourced from PubChem (CID 39833326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).