N-cyclopropyl-5-oxo-3,4-dihydro-2H-1-benzazepine-1-sulfonamide

C13H16N2O3S — CID 114808679

IUPACN-cyclopropyl-5-oxo-3,4-dihydro-2H-1-benzazepine-1-sulfonamide
SMILESO=C1CCCN(S(=O)(=O)NC2CC2)c2ccccc21
InChIInChI=1S/C13H16N2O3S/c16-13-6-3-9-15(12-5-2-1-4-11(12)13)19(17,18)14-10-7-8-10/h1-2,4-5,10,14H,3,6-9H2
InChIKeyLWDZOTQQRBOIQP-UHFFFAOYSA-N
MW280.35 g/mol
LogP1.47
Rot. Bonds3

About N-cyclopropyl-5-oxo-3,4-dihydro-2H-1-benzazepine-1-sulfonamide

N-cyclopropyl-5-oxo-3,4-dihydro-2H-1-benzazepine-1-sulfonamide (PubChem CID 114808679) has the molecular formula C13H16N2O3S and a molecular weight of 280.35 g/mol. Its IUPAC name is N-cyclopropyl-5-oxo-3,4-dihydro-2H-1-benzazepine-1-sulfonamide.

Molecular Properties

Compound NameN-cyclopropyl-5-oxo-3,4-dihydro-2H-1-benzazepine-1-sulfonamide
PubChem CID114808679
Molecular FormulaC13H16N2O3S
Molecular Weight280.35 g/mol
Exact Mass280.09
IUPAC NameN-cyclopropyl-5-oxo-3,4-dihydro-2H-1-benzazepine-1-sulfonamide
SMILESO=C1CCCN(S(=O)(=O)NC2CC2)c2ccccc21
InChIInChI=1S/C13H16N2O3S/c16-13-6-3-9-15(12-5-2-1-4-11(12)13)19(17,18)14-10-7-8-10/h1-2,4-5,10,14H,3,6-9H2
InChIKeyLWDZOTQQRBOIQP-UHFFFAOYSA-N
XLogP1.47
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.35
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopentyl-4-oxo-2,3-dihydroquinoline-1-sulfonamide
CID 110612616
5-oxo-3,4-dihydro-2H-1-benzazepine-1-sulfonamide
CID 114959228
(4Z)-N-cyclopropyl-4-hydroxyimino-2,3-dihydroquinoline-1-sulfonamide
CID 114809006
N,N-diethyl-5-oxo-3,4-dihydro-2H-1-benzazepine-1-sulfonamide
CID 114336702
1-butylsulfonyl-3,4-dihydro-2H-1-benzazepin-5-one
CID 114336701
4-oxo-N-propyl-2,3-dihydroquinoline-1-sulfonamide
CID 110612614
1-(2-methylpyrazol-3-yl)sulfonyl-3,4-dihydro-2H-1-benzazepin-5-one
CID 114336688
(5Z)-5-hydroxyimino-N-propan-2-yl-3,4-dihydro-2H-1-benzazepine-1-sulfonamide
CID 114809011
(NZ)-N-(1-cyclopropylsulfonyl-3,4-dihydro-2H-1-benzazepin-5-ylidene)hydroxylamine
CID 114337141
1-(2-cyclopentylacetyl)-3,4-dihydro-2H-1-benzazepin-5-one
CID 114336606
1-[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonyl-2,3-dihydroquinolin-4-one
CID 110424808
1-(4-oxo-2,3-dihydroquinolin-1-yl)-2,3-dihydroquinolin-4-one
CID 66967300

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-5-oxo-3,4-dihydro-2H-1-benzazepine-1-sulfonamide?
The IUPAC name of N-cyclopropyl-5-oxo-3,4-dihydro-2H-1-benzazepine-1-sulfonamide (CID 114808679) is N-cyclopropyl-5-oxo-3,4-dihydro-2H-1-benzazepine-1-sulfonamide.
What is the SMILES notation for N-cyclopropyl-5-oxo-3,4-dihydro-2H-1-benzazepine-1-sulfonamide?
The canonical SMILES for N-cyclopropyl-5-oxo-3,4-dihydro-2H-1-benzazepine-1-sulfonamide is O=C1CCCN(S(=O)(=O)NC2CC2)c2ccccc21.
What is the InChIKey of N-cyclopropyl-5-oxo-3,4-dihydro-2H-1-benzazepine-1-sulfonamide?
The InChIKey is LWDZOTQQRBOIQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3S/c16-13-6-3-9-15(12-5-2-1-4-11(12)13)19(17,18)14-10-7-8-10/h1-2,4-5,10,14H,3,6-9H2.
What are the key properties of N-cyclopropyl-5-oxo-3,4-dihydro-2H-1-benzazepine-1-sulfonamide?
N-cyclopropyl-5-oxo-3,4-dihydro-2H-1-benzazepine-1-sulfonamide has a molecular weight of 280.35 g/mol, XLogP of 1.47, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-5-oxo-3,4-dihydro-2H-1-benzazepine-1-sulfonamide is sourced from PubChem (CID 114808679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).