N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)thiophene-2-sulfonamide

C14H16N2O4S3 — CID 7517976

IUPACN-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)thiophene-2-sulfonamide
SMILESCS(=O)(=O)N1CCCc2ccc(NS(=O)(=O)c3cccs3)cc21
InChIInChI=1S/C14H16N2O4S3/c1-22(17,18)16-8-2-4-11-6-7-12(10-13(11)16)15-23(19,20)14-5-3-9-21-14/h3,5-7,9-10,15H,2,4,8H2,1H3
InChIKeySUEBYXZQMUKEFV-UHFFFAOYSA-N
MW372.49 g/mol
LogP2.26
Rot. Bonds4

About N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)thiophene-2-sulfonamide

N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)thiophene-2-sulfonamide (PubChem CID 7517976) has the molecular formula C14H16N2O4S3 and a molecular weight of 372.49 g/mol. Its IUPAC name is N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)thiophene-2-sulfonamide
PubChem CID7517976
Molecular FormulaC14H16N2O4S3
Molecular Weight372.49 g/mol
Exact Mass372.03
IUPAC NameN-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)thiophene-2-sulfonamide
SMILESCS(=O)(=O)N1CCCc2ccc(NS(=O)(=O)c3cccs3)cc21
InChIInChI=1S/C14H16N2O4S3/c1-22(17,18)16-8-2-4-11-6-7-12(10-13(11)16)15-23(19,20)14-5-3-9-21-14/h3,5-7,9-10,15H,2,4,8H2,1H3
InChIKeySUEBYXZQMUKEFV-UHFFFAOYSA-N
XLogP2.26
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.49
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 7517975
4-methoxy-N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)benzenesulfonamide
CID 7517962
3-fluoro-N-(1-thiophen-2-ylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)benzenesulfonamide
CID 43990543
2-fluoro-N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)benzenesulfonamide
CID 7517968
2-phenyl-N-(1-thiophen-2-ylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)ethanesulfonamide
CID 20962974
N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)formamide
CID 168653982
N-(cyclopentylsulfamoyl)-1-methylsulfonyl-3,4-dihydro-2H-quinolin-7-amine
CID 110622796
N-[4-methyl-3-(2-oxopiperidin-1-yl)phenyl]thiophene-2-sulfonamide
CID 7636353
2,3-dimethyl-N-(1-thiophen-2-ylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)benzenesulfonamide
CID 43955914
2-ethoxy-N-(1-thiophen-2-ylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)acetamide
CID 7586784
N'-(2-methylphenyl)-N-(1-thiophen-2-ylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)oxamide
CID 16823353
N-(1-thiophen-2-ylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 43955894

Frequently Asked Questions

What is the IUPAC name of N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)thiophene-2-sulfonamide?
The IUPAC name of N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)thiophene-2-sulfonamide (CID 7517976) is N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)thiophene-2-sulfonamide.
What is the SMILES notation for N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)thiophene-2-sulfonamide?
The canonical SMILES for N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)thiophene-2-sulfonamide is CS(=O)(=O)N1CCCc2ccc(NS(=O)(=O)c3cccs3)cc21.
What is the InChIKey of N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)thiophene-2-sulfonamide?
The InChIKey is SUEBYXZQMUKEFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O4S3/c1-22(17,18)16-8-2-4-11-6-7-12(10-13(11)16)15-23(19,20)14-5-3-9-21-14/h3,5-7,9-10,15H,2,4,8H2,1H3.
What are the key properties of N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)thiophene-2-sulfonamide?
N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)thiophene-2-sulfonamide has a molecular weight of 372.49 g/mol, XLogP of 2.26, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)thiophene-2-sulfonamide is sourced from PubChem (CID 7517976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).