N-[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-7-yl]-4-(2-hydroxyethylamino)benzenesulfonamide

C21H25N3O4S — CID 154934391

IUPACN-[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-7-yl]-4-(2-hydroxyethylamino)benzenesulfonamide
SMILESO=C(C1CC1)N1CCCc2ccc(NS(=O)(=O)c3ccc(NCCO)cc3)cc21
InChIInChI=1S/C21H25N3O4S/c25-13-11-22-17-7-9-19(10-8-17)29(27,28)23-18-6-5-15-2-1-12-24(20(15)14-18)21(26)16-3-4-16/h5-10,14,16,22-23,25H,1-4,11-13H2
InChIKeyPIMOETBVQIXSGR-UHFFFAOYSA-N
MW415.52 g/mol
LogP2.58
Rot. Bonds7

About N-[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-7-yl]-4-(2-hydroxyethylamino)benzenesulfonamide

N-[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-7-yl]-4-(2-hydroxyethylamino)benzenesulfonamide (PubChem CID 154934391) has the molecular formula C21H25N3O4S and a molecular weight of 415.52 g/mol. Its IUPAC name is N-[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-7-yl]-4-(2-hydroxyethylamino)benzenesulfonamide.

Molecular Properties

Compound NameN-[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-7-yl]-4-(2-hydroxyethylamino)benzenesulfonamide
PubChem CID154934391
Molecular FormulaC21H25N3O4S
Molecular Weight415.52 g/mol
Exact Mass415.16
IUPAC NameN-[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-7-yl]-4-(2-hydroxyethylamino)benzenesulfonamide
SMILESO=C(C1CC1)N1CCCc2ccc(NS(=O)(=O)c3ccc(NCCO)cc3)cc21
InChIInChI=1S/C21H25N3O4S/c25-13-11-22-17-7-9-19(10-8-17)29(27,28)23-18-6-5-15-2-1-12-24(20(15)14-18)21(26)16-3-4-16/h5-10,14,16,22-23,25H,1-4,11-13H2
InChIKeyPIMOETBVQIXSGR-UHFFFAOYSA-N
XLogP2.58
TPSA98.74 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.52
LogP ≤ 52.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-7-yl]-4-(2-hydroxyethylamino)benzenesulfonamide with MolForge

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Related Compounds

N-[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-7-yl]-4-(2-methylbutan-2-yl)benzenesulfonamide
CID 154934397
3-[4-[[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-7-yl]sulfamoyl]phenyl]-N-(2-hydroxyethyl)benzamide
CID 154720884
N-[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-7-yl]-4-(2-methylpropyl)benzenesulfonamide
CID 154934365
2,5-dichloro-N-[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-7-yl]benzenesulfonamide
CID 43990163
N-[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-7-yl]-2-nitrobenzenesulfonamide
CID 7517597
N-[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-7-yl]-4-(2-methoxyphenoxy)benzenesulfonamide
CID 154934385
N-(1-propanoyl-3,4-dihydro-2H-quinolin-7-yl)-4-propan-2-yloxybenzenesulfonamide
CID 154934520
4-chloro-N-(1-propanoyl-3,4-dihydro-2H-quinolin-7-yl)benzenesulfonamide
CID 27604773
6-chloro-N-[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-6-yl]pyridine-3-sulfonamide
CID 110303737
N-[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-6-yl]-2,4,5-trimethylbenzenesulfonamide
CID 7498812
N-[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-7-yl]-3-methylsulfonylpropanamide
CID 110623335
N-[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-6-yl]-3-methylbenzenesulfonamide
CID 7498808

Frequently Asked Questions

What is the IUPAC name of N-[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-7-yl]-4-(2-hydroxyethylamino)benzenesulfonamide?
The IUPAC name of N-[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-7-yl]-4-(2-hydroxyethylamino)benzenesulfonamide (CID 154934391) is N-[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-7-yl]-4-(2-hydroxyethylamino)benzenesulfonamide.
What is the SMILES notation for N-[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-7-yl]-4-(2-hydroxyethylamino)benzenesulfonamide?
The canonical SMILES for N-[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-7-yl]-4-(2-hydroxyethylamino)benzenesulfonamide is O=C(C1CC1)N1CCCc2ccc(NS(=O)(=O)c3ccc(NCCO)cc3)cc21.
What is the InChIKey of N-[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-7-yl]-4-(2-hydroxyethylamino)benzenesulfonamide?
The InChIKey is PIMOETBVQIXSGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O4S/c25-13-11-22-17-7-9-19(10-8-17)29(27,28)23-18-6-5-15-2-1-12-24(20(15)14-18)21(26)16-3-4-16/h5-10,14,16,22-23,25H,1-4,11-13H2.
What are the key properties of N-[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-7-yl]-4-(2-hydroxyethylamino)benzenesulfonamide?
N-[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-7-yl]-4-(2-hydroxyethylamino)benzenesulfonamide has a molecular weight of 415.52 g/mol, XLogP of 2.58, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-7-yl]-4-(2-hydroxyethylamino)benzenesulfonamide is sourced from PubChem (CID 154934391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).