N-(7-chloro-3,4-dihydro-2H-chromen-3-yl)-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-sulfonamide

C19H19ClN2O4S — CID 154850927

IUPACN-(7-chloro-3,4-dihydro-2H-chromen-3-yl)-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-sulfonamide
SMILESO=C1CCCc2cc(S(=O)(=O)NC3COc4cc(Cl)ccc4C3)ccc2N1
InChIInChI=1S/C19H19ClN2O4S/c20-14-5-4-13-8-15(11-26-18(13)10-14)22-27(24,25)16-6-7-17-12(9-16)2-1-3-19(23)21-17/h4-7,9-10,15,22H,1-3,8,11H2,(H,21,23)
InChIKeySJQFIGOCJOHMRL-UHFFFAOYSA-N
MW406.89 g/mol
LogP2.90
Rot. Bonds3

About N-(7-chloro-3,4-dihydro-2H-chromen-3-yl)-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-sulfonamide

N-(7-chloro-3,4-dihydro-2H-chromen-3-yl)-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-sulfonamide (PubChem CID 154850927) has the molecular formula C19H19ClN2O4S and a molecular weight of 406.89 g/mol. Its IUPAC name is N-(7-chloro-3,4-dihydro-2H-chromen-3-yl)-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-sulfonamide.

Molecular Properties

Compound NameN-(7-chloro-3,4-dihydro-2H-chromen-3-yl)-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-sulfonamide
PubChem CID154850927
Molecular FormulaC19H19ClN2O4S
Molecular Weight406.89 g/mol
Exact Mass406.08
IUPAC NameN-(7-chloro-3,4-dihydro-2H-chromen-3-yl)-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-sulfonamide
SMILESO=C1CCCc2cc(S(=O)(=O)NC3COc4cc(Cl)ccc4C3)ccc2N1
InChIInChI=1S/C19H19ClN2O4S/c20-14-5-4-13-8-15(11-26-18(13)10-14)22-27(24,25)16-6-7-17-12(9-16)2-1-3-19(23)21-17/h4-7,9-10,15,22H,1-3,8,11H2,(H,21,23)
InChIKeySJQFIGOCJOHMRL-UHFFFAOYSA-N
XLogP2.90
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.89
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclooctyl-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-sulfonamide
CID 20927826
N-(4-chlorophenyl)-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide
CID 3647907
N-(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 127279830
N-(2,6-dimethylphenyl)-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-sulfonamide
CID 20927828
2-oxo-N-propyl-1,3,4,5-tetrahydro-1-benzazepine-7-sulfonamide
CID 45106789
N-(3-aminopropyl)-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-sulfonamide;hydrochloride
CID 119962110
N-(2-cyclopropylpyrimidin-5-yl)-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-sulfonamide
CID 166190507
N-cyclopropyl-3-[(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)sulfonylamino]propanamide
CID 119055173
N-cycloheptyl-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 20858702
4-chloro-N-[(3S)-6-methoxy-3,4-dihydro-2H-chromen-3-yl]benzenesulfonamide
CID 95117153
7-[[(2R)-6-chloro-2-ethyl-2,3-dihydro-1,4-benzoxazin-4-yl]sulfonyl]-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 92745687
2-oxo-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)-1,3,4,5-tetrahydro-1-benzazepine-7-sulfonamide
CID 120721593

Frequently Asked Questions

What is the IUPAC name of N-(7-chloro-3,4-dihydro-2H-chromen-3-yl)-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-sulfonamide?
The IUPAC name of N-(7-chloro-3,4-dihydro-2H-chromen-3-yl)-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-sulfonamide (CID 154850927) is N-(7-chloro-3,4-dihydro-2H-chromen-3-yl)-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-sulfonamide.
What is the SMILES notation for N-(7-chloro-3,4-dihydro-2H-chromen-3-yl)-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-sulfonamide?
The canonical SMILES for N-(7-chloro-3,4-dihydro-2H-chromen-3-yl)-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-sulfonamide is O=C1CCCc2cc(S(=O)(=O)NC3COc4cc(Cl)ccc4C3)ccc2N1.
What is the InChIKey of N-(7-chloro-3,4-dihydro-2H-chromen-3-yl)-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-sulfonamide?
The InChIKey is SJQFIGOCJOHMRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN2O4S/c20-14-5-4-13-8-15(11-26-18(13)10-14)22-27(24,25)16-6-7-17-12(9-16)2-1-3-19(23)21-17/h4-7,9-10,15,22H,1-3,8,11H2,(H,21,23).
What are the key properties of N-(7-chloro-3,4-dihydro-2H-chromen-3-yl)-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-sulfonamide?
N-(7-chloro-3,4-dihydro-2H-chromen-3-yl)-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-sulfonamide has a molecular weight of 406.89 g/mol, XLogP of 2.90, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-chloro-3,4-dihydro-2H-chromen-3-yl)-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-sulfonamide is sourced from PubChem (CID 154850927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).