5-[3-(dimethylamino)azetidin-1-yl]-2-methyl-N-(1-quinolin-5-ylcyclopropyl)benzenesulfonamide

C24H28N4O2S — CID 177268779

IUPAC5-[3-(dimethylamino)azetidin-1-yl]-2-methyl-N-(1-quinolin-5-ylcyclopropyl)benzenesulfonamide
SMILESCc1ccc(N2CC(N(C)C)C2)cc1S(=O)(=O)NC1(c2cccc3ncccc23)CC1
InChIInChI=1S/C24H28N4O2S/c1-17-9-10-18(28-15-19(16-28)27(2)3)14-23(17)31(29,30)26-24(11-12-24)21-7-4-8-22-20(21)6-5-13-25-22/h4-10,13-14,19,26H,11-12,15-16H2,1-3H3
InChIKeyMZSXZMDYSYXRMR-UHFFFAOYSA-N
MW436.58 g/mol
LogP3.26
Rot. Bonds6

About 5-[3-(dimethylamino)azetidin-1-yl]-2-methyl-N-(1-quinolin-5-ylcyclopropyl)benzenesulfonamide

5-[3-(dimethylamino)azetidin-1-yl]-2-methyl-N-(1-quinolin-5-ylcyclopropyl)benzenesulfonamide (PubChem CID 177268779) has the molecular formula C24H28N4O2S and a molecular weight of 436.58 g/mol. Its IUPAC name is 5-[3-(dimethylamino)azetidin-1-yl]-2-methyl-N-(1-quinolin-5-ylcyclopropyl)benzenesulfonamide.

Molecular Properties

Compound Name5-[3-(dimethylamino)azetidin-1-yl]-2-methyl-N-(1-quinolin-5-ylcyclopropyl)benzenesulfonamide
PubChem CID177268779
Molecular FormulaC24H28N4O2S
Molecular Weight436.58 g/mol
Exact Mass436.19
IUPAC Name5-[3-(dimethylamino)azetidin-1-yl]-2-methyl-N-(1-quinolin-5-ylcyclopropyl)benzenesulfonamide
SMILESCc1ccc(N2CC(N(C)C)C2)cc1S(=O)(=O)NC1(c2cccc3ncccc23)CC1
InChIInChI=1S/C24H28N4O2S/c1-17-9-10-18(28-15-19(16-28)27(2)3)14-23(17)31(29,30)26-24(11-12-24)21-7-4-8-22-20(21)6-5-13-25-22/h4-10,13-14,19,26H,11-12,15-16H2,1-3H3
InChIKeyMZSXZMDYSYXRMR-UHFFFAOYSA-N
XLogP3.26
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.58
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[3-(dimethylamino)azetidin-1-yl]-N-[1-(5-fluoronaphthalen-1-yl)cyclopropyl]-2-methylbenzamide
CID 177268956
5-[3-(dihydroxyamino)azetidin-1-yl]-2-methyl-N-(1-quinolin-4-ylcyclopropyl)benzamide
CID 177269144
5-[3-(dimethylamino)azetidin-1-yl]-2-methyl-N-(1-quinolin-8-ylcyclopropyl)benzamide
CID 177268971
5-[3-(dimethylamino)azetidin-1-yl]-2-methyl-N-[1-[5-(methylamino)naphthalen-1-yl]cyclopropyl]benzamide
CID 177269051
5-[3-(dimethylamino)azetidin-1-yl]-2-methyl-N-[1-(1,7-naphthyridin-4-yl)cyclopropyl]benzamide
CID 177268830
5-[3-(dimethylamino)azetidin-1-yl]-2-methyl-N-(2-methyl-1-quinolin-4-ylcyclopropyl)benzamide
CID 177268980
N-[1-(8-chloroquinolin-4-yl)cyclopropyl]-5-[3-(dimethylamino)azetidin-1-yl]-2-methylbenzamide
CID 177269052
5-[3-(dimethylamino)azetidin-1-yl]-2-methyl-N-[1-(4-methylsulfonylnaphthalen-1-yl)cyclopropyl]benzamide
CID 177269122
2-methyl-N-(1-quinolin-4-ylcyclopropyl)-5-[3-(trifluoromethyl)azetidin-1-yl]benzamide
CID 177268952
2-methyl-5-[3-(methylamino)azetidin-1-yl]-N-(1-quinolin-4-ylcyclopropyl)benzamide
CID 177268938
5-[3-(dimethylamino)azetidin-1-yl]-2-methyl-N-[1-[4-(methylamino)naphthalen-1-yl]cyclopropyl]benzamide
CID 177269126
2-methyl-5-(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-N-(1-quinolin-4-ylcyclopropyl)benzamide
CID 177269118

Frequently Asked Questions

What is the IUPAC name of 5-[3-(dimethylamino)azetidin-1-yl]-2-methyl-N-(1-quinolin-5-ylcyclopropyl)benzenesulfonamide?
The IUPAC name of 5-[3-(dimethylamino)azetidin-1-yl]-2-methyl-N-(1-quinolin-5-ylcyclopropyl)benzenesulfonamide (CID 177268779) is 5-[3-(dimethylamino)azetidin-1-yl]-2-methyl-N-(1-quinolin-5-ylcyclopropyl)benzenesulfonamide.
What is the SMILES notation for 5-[3-(dimethylamino)azetidin-1-yl]-2-methyl-N-(1-quinolin-5-ylcyclopropyl)benzenesulfonamide?
The canonical SMILES for 5-[3-(dimethylamino)azetidin-1-yl]-2-methyl-N-(1-quinolin-5-ylcyclopropyl)benzenesulfonamide is Cc1ccc(N2CC(N(C)C)C2)cc1S(=O)(=O)NC1(c2cccc3ncccc23)CC1.
What is the InChIKey of 5-[3-(dimethylamino)azetidin-1-yl]-2-methyl-N-(1-quinolin-5-ylcyclopropyl)benzenesulfonamide?
The InChIKey is MZSXZMDYSYXRMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O2S/c1-17-9-10-18(28-15-19(16-28)27(2)3)14-23(17)31(29,30)26-24(11-12-24)21-7-4-8-22-20(21)6-5-13-25-22/h4-10,13-14,19,26H,11-12,15-16H2,1-3H3.
What are the key properties of 5-[3-(dimethylamino)azetidin-1-yl]-2-methyl-N-(1-quinolin-5-ylcyclopropyl)benzenesulfonamide?
5-[3-(dimethylamino)azetidin-1-yl]-2-methyl-N-(1-quinolin-5-ylcyclopropyl)benzenesulfonamide has a molecular weight of 436.58 g/mol, XLogP of 3.26, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(dimethylamino)azetidin-1-yl]-2-methyl-N-(1-quinolin-5-ylcyclopropyl)benzenesulfonamide is sourced from PubChem (CID 177268779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).