2-oxo-N-propyl-N-pyrrolidin-3-yl-1,3,4,5-tetrahydro-1-benzazepine-7-sulfonamide;hydrochloride

C17H26ClN3O3S — CID 119976551

IUPAC2-oxo-N-propyl-N-pyrrolidin-3-yl-1,3,4,5-tetrahydro-1-benzazepine-7-sulfonamide;hydrochloride
SMILESCCCN(C1CCNC1)S(=O)(=O)c1ccc2c(c1)CCCC(=O)N2.Cl
InChIInChI=1S/C17H25N3O3S.ClH/c1-2-10-20(14-8-9-18-12-14)24(22,23)15-6-7-16-13(11-15)4-3-5-17(21)19-16;/h6-7,11,14,18H,2-5,8-10,12H2,1H3,(H,19,21);1H
InChIKeyGJLDCJYUWKEVJV-UHFFFAOYSA-N
MW387.93 g/mol
LogP2.15
Rot. Bonds5

About 2-oxo-N-propyl-N-pyrrolidin-3-yl-1,3,4,5-tetrahydro-1-benzazepine-7-sulfonamide;hydrochloride

2-oxo-N-propyl-N-pyrrolidin-3-yl-1,3,4,5-tetrahydro-1-benzazepine-7-sulfonamide;hydrochloride (PubChem CID 119976551) has the molecular formula C17H26ClN3O3S and a molecular weight of 387.93 g/mol. Its IUPAC name is 2-oxo-N-propyl-N-pyrrolidin-3-yl-1,3,4,5-tetrahydro-1-benzazepine-7-sulfonamide;hydrochloride.

Molecular Properties

Compound Name2-oxo-N-propyl-N-pyrrolidin-3-yl-1,3,4,5-tetrahydro-1-benzazepine-7-sulfonamide;hydrochloride
PubChem CID119976551
Molecular FormulaC17H26ClN3O3S
Molecular Weight387.93 g/mol
Exact Mass387.14
IUPAC Name2-oxo-N-propyl-N-pyrrolidin-3-yl-1,3,4,5-tetrahydro-1-benzazepine-7-sulfonamide;hydrochloride
SMILESCCCN(C1CCNC1)S(=O)(=O)c1ccc2c(c1)CCCC(=O)N2.Cl
InChIInChI=1S/C17H25N3O3S.ClH/c1-2-10-20(14-8-9-18-12-14)24(22,23)15-6-7-16-13(11-15)4-3-5-17(21)19-16;/h6-7,11,14,18H,2-5,8-10,12H2,1H3,(H,19,21);1H
InChIKeyGJLDCJYUWKEVJV-UHFFFAOYSA-N
XLogP2.15
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.93
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-oxo-N-propyl-N-pyrrolidin-3-yl-1,3,4,5-tetrahydro-1-benzazepine-7-sulfonamide;hydrochloride with MolForge

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Related Compounds

N,N-dibutyl-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-sulfonamide
CID 46282011
3-chloro-4-methyl-N-propyl-N-pyrrolidin-3-ylbenzenesulfonamide;hydrochloride
CID 119976554
2-methyl-1,3-dioxo-N-propyl-N-pyrrolidin-3-ylisoindole-5-sulfonamide
CID 119976743
1-N,1-N-dimethyl-3-N-propyl-3-N-pyrrolidin-3-ylbenzene-1,3-disulfonamide
CID 119976410
N-(1-methylpiperidin-4-yl)-N-(3-morpholin-4-ylpropyl)-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-sulfonamide
CID 53299009
3,4-dichloro-N-piperidin-3-yl-N-propylbenzenesulfonamide
CID 63637983
methyl 2-methyl-5-[propyl(pyrrolidin-3-yl)sulfamoyl]benzoate;hydrochloride
CID 119976853
4-methyl-N-piperidin-3-yl-N-propylbenzenesulfonamide
CID 60806542
2-methyl-5-methylsulfonyl-N-propyl-N-pyrrolidin-3-ylbenzenesulfonamide;hydrochloride
CID 119976755
2-oxo-N,N-bis(prop-2-enyl)-1,3,4,5-tetrahydro-1-benzazepine-7-sulfonamide
CID 47029568
N-butyl-N-cyclopropyl-2,3-dihydro-1H-indole-5-sulfonamide
CID 61443459
6-[[methyl(pyrrolidin-3-yl)amino]methyl]-3,4-dihydro-1H-quinolin-2-one
CID 115118915

Frequently Asked Questions

What is the IUPAC name of 2-oxo-N-propyl-N-pyrrolidin-3-yl-1,3,4,5-tetrahydro-1-benzazepine-7-sulfonamide;hydrochloride?
The IUPAC name of 2-oxo-N-propyl-N-pyrrolidin-3-yl-1,3,4,5-tetrahydro-1-benzazepine-7-sulfonamide;hydrochloride (CID 119976551) is 2-oxo-N-propyl-N-pyrrolidin-3-yl-1,3,4,5-tetrahydro-1-benzazepine-7-sulfonamide;hydrochloride.
What is the SMILES notation for 2-oxo-N-propyl-N-pyrrolidin-3-yl-1,3,4,5-tetrahydro-1-benzazepine-7-sulfonamide;hydrochloride?
The canonical SMILES for 2-oxo-N-propyl-N-pyrrolidin-3-yl-1,3,4,5-tetrahydro-1-benzazepine-7-sulfonamide;hydrochloride is CCCN(C1CCNC1)S(=O)(=O)c1ccc2c(c1)CCCC(=O)N2.Cl.
What is the InChIKey of 2-oxo-N-propyl-N-pyrrolidin-3-yl-1,3,4,5-tetrahydro-1-benzazepine-7-sulfonamide;hydrochloride?
The InChIKey is GJLDCJYUWKEVJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O3S.ClH/c1-2-10-20(14-8-9-18-12-14)24(22,23)15-6-7-16-13(11-15)4-3-5-17(21)19-16;/h6-7,11,14,18H,2-5,8-10,12H2,1H3,(H,19,21);1H.
What are the key properties of 2-oxo-N-propyl-N-pyrrolidin-3-yl-1,3,4,5-tetrahydro-1-benzazepine-7-sulfonamide;hydrochloride?
2-oxo-N-propyl-N-pyrrolidin-3-yl-1,3,4,5-tetrahydro-1-benzazepine-7-sulfonamide;hydrochloride has a molecular weight of 387.93 g/mol, XLogP of 2.15, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-N-propyl-N-pyrrolidin-3-yl-1,3,4,5-tetrahydro-1-benzazepine-7-sulfonamide;hydrochloride is sourced from PubChem (CID 119976551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).