5-chloro-N-(2,2,4-trimethyl-1H-quinolin-6-yl)thiophene-2-sulfonamide

C16H17ClN2O2S2 — CID 59375183

IUPAC5-chloro-N-(2,2,4-trimethyl-1H-quinolin-6-yl)thiophene-2-sulfonamide
SMILESCC1=CC(C)(C)Nc2ccc(NS(=O)(=O)c3ccc(Cl)s3)cc21
InChIInChI=1S/C16H17ClN2O2S2/c1-10-9-16(2,3)18-13-5-4-11(8-12(10)13)19-23(20,21)15-7-6-14(17)22-15/h4-9,18-19H,1-3H3
InChIKeyVTQLUECIOXXDIR-UHFFFAOYSA-N
MW368.91 g/mol
LogP4.81
Rot. Bonds3

About 5-chloro-N-(2,2,4-trimethyl-1H-quinolin-6-yl)thiophene-2-sulfonamide

5-chloro-N-(2,2,4-trimethyl-1H-quinolin-6-yl)thiophene-2-sulfonamide (PubChem CID 59375183) has the molecular formula C16H17ClN2O2S2 and a molecular weight of 368.91 g/mol. Its IUPAC name is 5-chloro-N-(2,2,4-trimethyl-1H-quinolin-6-yl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-chloro-N-(2,2,4-trimethyl-1H-quinolin-6-yl)thiophene-2-sulfonamide
PubChem CID59375183
Molecular FormulaC16H17ClN2O2S2
Molecular Weight368.91 g/mol
Exact Mass368.04
IUPAC Name5-chloro-N-(2,2,4-trimethyl-1H-quinolin-6-yl)thiophene-2-sulfonamide
SMILESCC1=CC(C)(C)Nc2ccc(NS(=O)(=O)c3ccc(Cl)s3)cc21
InChIInChI=1S/C16H17ClN2O2S2/c1-10-9-16(2,3)18-13-5-4-11(8-12(10)13)19-23(20,21)15-7-6-14(17)22-15/h4-9,18-19H,1-3H3
InChIKeyVTQLUECIOXXDIR-UHFFFAOYSA-N
XLogP4.81
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.91
LogP ≤ 54.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-N-(3,3-dimethyl-2-oxo-1H-indol-5-yl)thiophene-2-sulfonamide
CID 110405814
N-(4-bromo-3-methylphenyl)-5-chlorothiophene-2-sulfonamide
CID 22774672
5-chloro-N-[4-methyl-3-(trifluoromethyl)phenyl]thiophene-2-sulfonamide
CID 24580783
2,2,4-trimethyl-N-(4-methylphenyl)-1H-quinolin-6-amine
CID 154263778
5-chloro-N-[4-methoxy-3-(4-methoxyphenyl)phenyl]thiophene-2-sulfonamide
CID 8519502
5-chloro-N-(6-oxo-5H-benzo[b][1,4]benzoxazepin-8-yl)thiophene-2-sulfonamide
CID 16826884
5-chloro-N-[4-[(2,4,6-trimethylphenyl)sulfamoyl]phenyl]thiophene-2-sulfonamide
CID 22202764
5-chloro-N-[4-(N-methylanilino)phenyl]thiophene-2-sulfonamide
CID 112986155
5-chloro-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)thiophene-2-sulfonamide
CID 3659033
5-chloro-N-(1H-indazol-6-yl)thiophene-2-sulfonamide
CID 2444866
N-(4-bromo-3-iodophenyl)-5-chlorothiophene-2-sulfonamide
CID 114259633
5-chloro-N-[5-(3,4-dimethylanilino)-2-pyridinyl]thiophene-2-sulfonamide
CID 113032155

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(2,2,4-trimethyl-1H-quinolin-6-yl)thiophene-2-sulfonamide?
The IUPAC name of 5-chloro-N-(2,2,4-trimethyl-1H-quinolin-6-yl)thiophene-2-sulfonamide (CID 59375183) is 5-chloro-N-(2,2,4-trimethyl-1H-quinolin-6-yl)thiophene-2-sulfonamide.
What is the SMILES notation for 5-chloro-N-(2,2,4-trimethyl-1H-quinolin-6-yl)thiophene-2-sulfonamide?
The canonical SMILES for 5-chloro-N-(2,2,4-trimethyl-1H-quinolin-6-yl)thiophene-2-sulfonamide is CC1=CC(C)(C)Nc2ccc(NS(=O)(=O)c3ccc(Cl)s3)cc21.
What is the InChIKey of 5-chloro-N-(2,2,4-trimethyl-1H-quinolin-6-yl)thiophene-2-sulfonamide?
The InChIKey is VTQLUECIOXXDIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O2S2/c1-10-9-16(2,3)18-13-5-4-11(8-12(10)13)19-23(20,21)15-7-6-14(17)22-15/h4-9,18-19H,1-3H3.
What are the key properties of 5-chloro-N-(2,2,4-trimethyl-1H-quinolin-6-yl)thiophene-2-sulfonamide?
5-chloro-N-(2,2,4-trimethyl-1H-quinolin-6-yl)thiophene-2-sulfonamide has a molecular weight of 368.91 g/mol, XLogP of 4.81, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(2,2,4-trimethyl-1H-quinolin-6-yl)thiophene-2-sulfonamide is sourced from PubChem (CID 59375183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).