3-chloro-N-(1-thiophen-2-ylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)benzenesulfonamide

C19H17ClN2O4S3 — CID 27546036

IUPAC3-chloro-N-(1-thiophen-2-ylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)benzenesulfonamide
SMILESO=S(=O)(Nc1ccc2c(c1)CCCN2S(=O)(=O)c1cccs1)c1cccc(Cl)c1
InChIInChI=1S/C19H17ClN2O4S3/c20-15-5-1-6-17(13-15)28(23,24)21-16-8-9-18-14(12-16)4-2-10-22(18)29(25,26)19-7-3-11-27-19/h1,3,5-9,11-13,21H,2,4,10H2
InChIKeyGIKADOAKLDWFTD-UHFFFAOYSA-N
MW469.01 g/mol
LogP4.34
Rot. Bonds5

About 3-chloro-N-(1-thiophen-2-ylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)benzenesulfonamide

3-chloro-N-(1-thiophen-2-ylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)benzenesulfonamide (PubChem CID 27546036) has the molecular formula C19H17ClN2O4S3 and a molecular weight of 469.01 g/mol. Its IUPAC name is 3-chloro-N-(1-thiophen-2-ylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)benzenesulfonamide.

Molecular Properties

Compound Name3-chloro-N-(1-thiophen-2-ylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)benzenesulfonamide
PubChem CID27546036
Molecular FormulaC19H17ClN2O4S3
Molecular Weight469.01 g/mol
Exact Mass468.00
IUPAC Name3-chloro-N-(1-thiophen-2-ylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)benzenesulfonamide
SMILESO=S(=O)(Nc1ccc2c(c1)CCCN2S(=O)(=O)c1cccs1)c1cccc(Cl)c1
InChIInChI=1S/C19H17ClN2O4S3/c20-15-5-1-6-17(13-15)28(23,24)21-16-8-9-18-14(12-16)4-2-10-22(18)29(25,26)19-7-3-11-27-19/h1,3,5-9,11-13,21H,2,4,10H2
InChIKeyGIKADOAKLDWFTD-UHFFFAOYSA-N
XLogP4.34
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.01
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-thiophen-2-ylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 43955894
2,3-dimethyl-N-(1-thiophen-2-ylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)benzenesulfonamide
CID 43955914
2,5-difluoro-N-(1-thiophen-2-ylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)benzenesulfonamide
CID 43955897
3-fluoro-N-(1-thiophen-2-ylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)benzenesulfonamide
CID 43990543
2-nitro-N-(1-thiophen-2-ylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)benzenesulfonamide
CID 43955900
2,4-dimethoxy-N-(1-thiophen-2-ylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)benzenesulfonamide
CID 27441200
3,3-dimethyl-N-(1-thiophen-2-ylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)butanamide
CID 7657771
3-bromo-N-(1-thiophen-2-ylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)benzamide
CID 27545934
3,5-dimethyl-N-(1-thiophen-2-ylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)benzamide
CID 16831226
4-phenyl-N-(1-thiophen-2-ylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)benzamide
CID 16834893
4-chloro-N-[1-(4-methylphenyl)sulfonyl-3,4-dihydro-2H-quinolin-6-yl]benzenesulfonamide
CID 20962746
3,4-dimethyl-N-(1-thiophen-2-ylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)benzamide
CID 16831231

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(1-thiophen-2-ylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)benzenesulfonamide?
The IUPAC name of 3-chloro-N-(1-thiophen-2-ylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)benzenesulfonamide (CID 27546036) is 3-chloro-N-(1-thiophen-2-ylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)benzenesulfonamide.
What is the SMILES notation for 3-chloro-N-(1-thiophen-2-ylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)benzenesulfonamide?
The canonical SMILES for 3-chloro-N-(1-thiophen-2-ylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)benzenesulfonamide is O=S(=O)(Nc1ccc2c(c1)CCCN2S(=O)(=O)c1cccs1)c1cccc(Cl)c1.
What is the InChIKey of 3-chloro-N-(1-thiophen-2-ylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)benzenesulfonamide?
The InChIKey is GIKADOAKLDWFTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN2O4S3/c20-15-5-1-6-17(13-15)28(23,24)21-16-8-9-18-14(12-16)4-2-10-22(18)29(25,26)19-7-3-11-27-19/h1,3,5-9,11-13,21H,2,4,10H2.
What are the key properties of 3-chloro-N-(1-thiophen-2-ylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)benzenesulfonamide?
3-chloro-N-(1-thiophen-2-ylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)benzenesulfonamide has a molecular weight of 469.01 g/mol, XLogP of 4.34, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(1-thiophen-2-ylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)benzenesulfonamide is sourced from PubChem (CID 27546036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).