3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N,N-dimethyl-1,2,4-triazole-1-sulfonamide

C13H17N5O4S2 — CID 142476598

IUPAC3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N,N-dimethyl-1,2,4-triazole-1-sulfonamide
SMILESCN(C)S(=O)(=O)n1cnc(S(=O)(=O)N2CCCc3ccccc32)n1
InChIInChI=1S/C13H17N5O4S2/c1-16(2)24(21,22)18-10-14-13(15-18)23(19,20)17-9-5-7-11-6-3-4-8-12(11)17/h3-4,6,8,10H,5,7,9H2,1-2H3
InChIKeyUNWZWSCJQYBBIL-UHFFFAOYSA-N
MW371.44 g/mol
LogP0.07
Rot. Bonds4

About 3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N,N-dimethyl-1,2,4-triazole-1-sulfonamide

3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N,N-dimethyl-1,2,4-triazole-1-sulfonamide (PubChem CID 142476598) has the molecular formula C13H17N5O4S2 and a molecular weight of 371.44 g/mol. Its IUPAC name is 3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N,N-dimethyl-1,2,4-triazole-1-sulfonamide.

Molecular Properties

Compound Name3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N,N-dimethyl-1,2,4-triazole-1-sulfonamide
PubChem CID142476598
Molecular FormulaC13H17N5O4S2
Molecular Weight371.44 g/mol
Exact Mass371.07
IUPAC Name3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N,N-dimethyl-1,2,4-triazole-1-sulfonamide
SMILESCN(C)S(=O)(=O)n1cnc(S(=O)(=O)N2CCCc3ccccc32)n1
InChIInChI=1S/C13H17N5O4S2/c1-16(2)24(21,22)18-10-14-13(15-18)23(19,20)17-9-5-7-11-6-3-4-8-12(11)17/h3-4,6,8,10H,5,7,9H2,1-2H3
InChIKeyUNWZWSCJQYBBIL-UHFFFAOYSA-N
XLogP0.07
TPSA105.47 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 50.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N,N-dimethyl-1,2,4-triazole-1-sulfonamide with MolForge

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Related Compounds

1-methylsulfonyl-3,4-dihydro-2H-quinoline
CID 669103
1-[(2-methyl-1H-imidazol-5-yl)sulfonyl]-3,4-dihydro-2H-quinoline
CID 62998708
N,N-dimethyl-5-(2,3,4,5-tetrahydro-1-benzazepin-1-ylsulfonyl)pyridin-2-amine
CID 100741484
1-[(6-methoxy-3-pyridinyl)sulfonyl]-3,4-dihydro-2H-quinoline
CID 99803410
1-(2-methoxyphenyl)sulfonyl-3,4-dihydro-2H-quinoline
CID 51169545
1-(4-methylpiperazin-1-yl)sulfonyl-3,4-dihydro-2H-quinoline
CID 110865622
1-(trifluoromethylsulfonyl)-3,4-dihydro-2H-quinoline
CID 15836554
4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-1H-pyrazol-5-amine
CID 60814697
1-(1,2-dimethylbenzimidazol-5-yl)sulfonyl-3,4-dihydro-2H-quinoline
CID 110760434
2-(2,3,4,5-tetrahydro-1-benzazepin-1-ylsulfonyl)phenol
CID 81233664
5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-6-methyl-1H-pyrimidine-2,4-dione
CID 6624044
3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzenesulfonamide
CID 31064364

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N,N-dimethyl-1,2,4-triazole-1-sulfonamide?
The IUPAC name of 3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N,N-dimethyl-1,2,4-triazole-1-sulfonamide (CID 142476598) is 3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N,N-dimethyl-1,2,4-triazole-1-sulfonamide.
What is the SMILES notation for 3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N,N-dimethyl-1,2,4-triazole-1-sulfonamide?
The canonical SMILES for 3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N,N-dimethyl-1,2,4-triazole-1-sulfonamide is CN(C)S(=O)(=O)n1cnc(S(=O)(=O)N2CCCc3ccccc32)n1.
What is the InChIKey of 3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N,N-dimethyl-1,2,4-triazole-1-sulfonamide?
The InChIKey is UNWZWSCJQYBBIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O4S2/c1-16(2)24(21,22)18-10-14-13(15-18)23(19,20)17-9-5-7-11-6-3-4-8-12(11)17/h3-4,6,8,10H,5,7,9H2,1-2H3.
What are the key properties of 3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N,N-dimethyl-1,2,4-triazole-1-sulfonamide?
3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N,N-dimethyl-1,2,4-triazole-1-sulfonamide has a molecular weight of 371.44 g/mol, XLogP of 0.07, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N,N-dimethyl-1,2,4-triazole-1-sulfonamide is sourced from PubChem (CID 142476598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).