3-(pyrrolidine-1-carbonyl)-1,2,4,5-tetrahydro-3-benzazepine-7-sulfonamide

C15H21N3O3S — CID 21434436

IUPAC3-(pyrrolidine-1-carbonyl)-1,2,4,5-tetrahydro-3-benzazepine-7-sulfonamide
SMILESNS(=O)(=O)c1ccc2c(c1)CCN(C(=O)N1CCCC1)CC2
InChIInChI=1S/C15H21N3O3S/c16-22(20,21)14-4-3-12-5-9-18(10-6-13(12)11-14)15(19)17-7-1-2-8-17/h3-4,11H,1-2,5-10H2,(H2,16,20,21)
InChIKeyIPJWYIMXBIVBIE-UHFFFAOYSA-N
MW323.42 g/mol
LogP0.95
Rot. Bonds1

About 3-(pyrrolidine-1-carbonyl)-1,2,4,5-tetrahydro-3-benzazepine-7-sulfonamide

3-(pyrrolidine-1-carbonyl)-1,2,4,5-tetrahydro-3-benzazepine-7-sulfonamide (PubChem CID 21434436) has the molecular formula C15H21N3O3S and a molecular weight of 323.42 g/mol. Its IUPAC name is 3-(pyrrolidine-1-carbonyl)-1,2,4,5-tetrahydro-3-benzazepine-7-sulfonamide.

Molecular Properties

Compound Name3-(pyrrolidine-1-carbonyl)-1,2,4,5-tetrahydro-3-benzazepine-7-sulfonamide
PubChem CID21434436
Molecular FormulaC15H21N3O3S
Molecular Weight323.42 g/mol
Exact Mass323.13
IUPAC Name3-(pyrrolidine-1-carbonyl)-1,2,4,5-tetrahydro-3-benzazepine-7-sulfonamide
SMILESNS(=O)(=O)c1ccc2c(c1)CCN(C(=O)N1CCCC1)CC2
InChIInChI=1S/C15H21N3O3S/c16-22(20,21)14-4-3-12-5-9-18(10-6-13(12)11-14)15(19)17-7-1-2-8-17/h3-4,11H,1-2,5-10H2,(H2,16,20,21)
InChIKeyIPJWYIMXBIVBIE-UHFFFAOYSA-N
XLogP0.95
TPSA83.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.42
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(cyclohexanecarbonyl)-3,4-dihydro-1H-isoquinoline-7-sulfonamide
CID 110294055
2-(4-methylbenzoyl)-3,4-dihydro-1H-isoquinoline-7-sulfonamide
CID 110294064
azepan-1-yl(1,2,4,5-tetrahydro-3-benzazepin-3-yl)methanone
CID 116656264
2-(4-tert-butylbenzoyl)-3,4-dihydro-1H-isoquinoline-7-sulfonamide
CID 110294078
2-(furan-2-carbonyl)-3,4-dihydro-1H-isoquinoline-7-sulfonamide
CID 110294059
N-butan-2-yl-7-sulfamoyl-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 110632531
1-[2-[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]acetyl]-2,3-dihydroindole-5-sulfonamide
CID 18284239
2-[3-(2-chlorophenyl)propanoyl]-3,4-dihydro-1H-isoquinoline-7-sulfonamide
CID 110632522
N-benzyl-7-sulfamoyl-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 110354899
5-sulfamoyl-1,3-dihydroisoindole-2-carboxylic acid
CID 71089634
(7-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)-piperidin-1-ylmethanone
CID 78945026
2-[3-(4-fluorophenyl)propanoyl]-3,4-dihydro-1H-isoquinoline-7-sulfonamide
CID 110632520

Frequently Asked Questions

What is the IUPAC name of 3-(pyrrolidine-1-carbonyl)-1,2,4,5-tetrahydro-3-benzazepine-7-sulfonamide?
The IUPAC name of 3-(pyrrolidine-1-carbonyl)-1,2,4,5-tetrahydro-3-benzazepine-7-sulfonamide (CID 21434436) is 3-(pyrrolidine-1-carbonyl)-1,2,4,5-tetrahydro-3-benzazepine-7-sulfonamide.
What is the SMILES notation for 3-(pyrrolidine-1-carbonyl)-1,2,4,5-tetrahydro-3-benzazepine-7-sulfonamide?
The canonical SMILES for 3-(pyrrolidine-1-carbonyl)-1,2,4,5-tetrahydro-3-benzazepine-7-sulfonamide is NS(=O)(=O)c1ccc2c(c1)CCN(C(=O)N1CCCC1)CC2.
What is the InChIKey of 3-(pyrrolidine-1-carbonyl)-1,2,4,5-tetrahydro-3-benzazepine-7-sulfonamide?
The InChIKey is IPJWYIMXBIVBIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3S/c16-22(20,21)14-4-3-12-5-9-18(10-6-13(12)11-14)15(19)17-7-1-2-8-17/h3-4,11H,1-2,5-10H2,(H2,16,20,21).
What are the key properties of 3-(pyrrolidine-1-carbonyl)-1,2,4,5-tetrahydro-3-benzazepine-7-sulfonamide?
3-(pyrrolidine-1-carbonyl)-1,2,4,5-tetrahydro-3-benzazepine-7-sulfonamide has a molecular weight of 323.42 g/mol, XLogP of 0.95, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(pyrrolidine-1-carbonyl)-1,2,4,5-tetrahydro-3-benzazepine-7-sulfonamide is sourced from PubChem (CID 21434436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).