N-butyl-2,7-dichloro-4-methylquinoline-6-sulfonamide

C14H16Cl2N2O2S — CID 99978040

IUPACN-butyl-2,7-dichloro-4-methylquinoline-6-sulfonamide
SMILESCCCCNS(=O)(=O)c1cc2c(C)cc(Cl)nc2cc1Cl
InChIInChI=1S/C14H16Cl2N2O2S/c1-3-4-5-17-21(19,20)13-7-10-9(2)6-14(16)18-12(10)8-11(13)15/h6-8,17H,3-5H2,1-2H3
InChIKeyAUPYRQAOLQLKAV-UHFFFAOYSA-N
MW347.27 g/mol
LogP3.93
Rot. Bonds5

About N-butyl-2,7-dichloro-4-methylquinoline-6-sulfonamide

N-butyl-2,7-dichloro-4-methylquinoline-6-sulfonamide (PubChem CID 99978040) has the molecular formula C14H16Cl2N2O2S and a molecular weight of 347.27 g/mol. Its IUPAC name is N-butyl-2,7-dichloro-4-methylquinoline-6-sulfonamide.

Molecular Properties

Compound NameN-butyl-2,7-dichloro-4-methylquinoline-6-sulfonamide
PubChem CID99978040
Molecular FormulaC14H16Cl2N2O2S
Molecular Weight347.27 g/mol
Exact Mass346.03
IUPAC NameN-butyl-2,7-dichloro-4-methylquinoline-6-sulfonamide
SMILESCCCCNS(=O)(=O)c1cc2c(C)cc(Cl)nc2cc1Cl
InChIInChI=1S/C14H16Cl2N2O2S/c1-3-4-5-17-21(19,20)13-7-10-9(2)6-14(16)18-12(10)8-11(13)15/h6-8,17H,3-5H2,1-2H3
InChIKeyAUPYRQAOLQLKAV-UHFFFAOYSA-N
XLogP3.93
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.27
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-butyl-2,7-dichloro-4-methylquinoline-6-sulfonamide?
The IUPAC name of N-butyl-2,7-dichloro-4-methylquinoline-6-sulfonamide (CID 99978040) is N-butyl-2,7-dichloro-4-methylquinoline-6-sulfonamide.
What is the SMILES notation for N-butyl-2,7-dichloro-4-methylquinoline-6-sulfonamide?
The canonical SMILES for N-butyl-2,7-dichloro-4-methylquinoline-6-sulfonamide is CCCCNS(=O)(=O)c1cc2c(C)cc(Cl)nc2cc1Cl.
What is the InChIKey of N-butyl-2,7-dichloro-4-methylquinoline-6-sulfonamide?
The InChIKey is AUPYRQAOLQLKAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16Cl2N2O2S/c1-3-4-5-17-21(19,20)13-7-10-9(2)6-14(16)18-12(10)8-11(13)15/h6-8,17H,3-5H2,1-2H3.
What are the key properties of N-butyl-2,7-dichloro-4-methylquinoline-6-sulfonamide?
N-butyl-2,7-dichloro-4-methylquinoline-6-sulfonamide has a molecular weight of 347.27 g/mol, XLogP of 3.93, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2,7-dichloro-4-methylquinoline-6-sulfonamide is sourced from PubChem (CID 99978040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).