2-hydroxy-N,N,7-trimethyl-3-nitroso-1,6,8,9-tetrahydropyrrolo[2,3-f]isoquinoline-5-sulfonamide;hydrochloride

C14H19ClN4O4S — CID 135548432

IUPAC2-hydroxy-N,N,7-trimethyl-3-nitroso-1,6,8,9-tetrahydropyrrolo[2,3-f]isoquinoline-5-sulfonamide;hydrochloride
SMILESCN1CCc2c(c(S(=O)(=O)N(C)C)cc3c(N=O)c(O)[nH]c23)C1.Cl
InChIInChI=1S/C14H18N4O4S.ClH/c1-17(2)23(21,22)11-6-9-12(15-14(19)13(9)16-20)8-4-5-18(3)7-10(8)11;/h6,15,19H,4-5,7H2,1-3H3;1H
InChIKeyLGGCFHZQGKRHJW-UHFFFAOYSA-N
MW374.85 g/mol
LogP1.93
Rot. Bonds3

About 2-hydroxy-N,N,7-trimethyl-3-nitroso-1,6,8,9-tetrahydropyrrolo[2,3-f]isoquinoline-5-sulfonamide;hydrochloride

2-hydroxy-N,N,7-trimethyl-3-nitroso-1,6,8,9-tetrahydropyrrolo[2,3-f]isoquinoline-5-sulfonamide;hydrochloride (PubChem CID 135548432) has the molecular formula C14H19ClN4O4S and a molecular weight of 374.85 g/mol. Its IUPAC name is 2-hydroxy-N,N,7-trimethyl-3-nitroso-1,6,8,9-tetrahydropyrrolo[2,3-f]isoquinoline-5-sulfonamide;hydrochloride.

Molecular Properties

Compound Name2-hydroxy-N,N,7-trimethyl-3-nitroso-1,6,8,9-tetrahydropyrrolo[2,3-f]isoquinoline-5-sulfonamide;hydrochloride
PubChem CID135548432
Molecular FormulaC14H19ClN4O4S
Molecular Weight374.85 g/mol
Exact Mass374.08
IUPAC Name2-hydroxy-N,N,7-trimethyl-3-nitroso-1,6,8,9-tetrahydropyrrolo[2,3-f]isoquinoline-5-sulfonamide;hydrochloride
SMILESCN1CCc2c(c(S(=O)(=O)N(C)C)cc3c(N=O)c(O)[nH]c23)C1.Cl
InChIInChI=1S/C14H18N4O4S.ClH/c1-17(2)23(21,22)11-6-9-12(15-14(19)13(9)16-20)8-4-5-18(3)7-10(8)11;/h6,15,19H,4-5,7H2,1-3H3;1H
InChIKeyLGGCFHZQGKRHJW-UHFFFAOYSA-N
XLogP1.93
TPSA106.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.85
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N,N,7-trimethyl-3-nitroso-1,6,8,9-tetrahydropyrrolo[2,3-f]isoquinoline-5-sulfonamide;hydrochloride?
The IUPAC name of 2-hydroxy-N,N,7-trimethyl-3-nitroso-1,6,8,9-tetrahydropyrrolo[2,3-f]isoquinoline-5-sulfonamide;hydrochloride (CID 135548432) is 2-hydroxy-N,N,7-trimethyl-3-nitroso-1,6,8,9-tetrahydropyrrolo[2,3-f]isoquinoline-5-sulfonamide;hydrochloride.
What is the SMILES notation for 2-hydroxy-N,N,7-trimethyl-3-nitroso-1,6,8,9-tetrahydropyrrolo[2,3-f]isoquinoline-5-sulfonamide;hydrochloride?
The canonical SMILES for 2-hydroxy-N,N,7-trimethyl-3-nitroso-1,6,8,9-tetrahydropyrrolo[2,3-f]isoquinoline-5-sulfonamide;hydrochloride is CN1CCc2c(c(S(=O)(=O)N(C)C)cc3c(N=O)c(O)[nH]c23)C1.Cl.
What is the InChIKey of 2-hydroxy-N,N,7-trimethyl-3-nitroso-1,6,8,9-tetrahydropyrrolo[2,3-f]isoquinoline-5-sulfonamide;hydrochloride?
The InChIKey is LGGCFHZQGKRHJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O4S.ClH/c1-17(2)23(21,22)11-6-9-12(15-14(19)13(9)16-20)8-4-5-18(3)7-10(8)11;/h6,15,19H,4-5,7H2,1-3H3;1H.
What are the key properties of 2-hydroxy-N,N,7-trimethyl-3-nitroso-1,6,8,9-tetrahydropyrrolo[2,3-f]isoquinoline-5-sulfonamide;hydrochloride?
2-hydroxy-N,N,7-trimethyl-3-nitroso-1,6,8,9-tetrahydropyrrolo[2,3-f]isoquinoline-5-sulfonamide;hydrochloride has a molecular weight of 374.85 g/mol, XLogP of 1.93, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N,N,7-trimethyl-3-nitroso-1,6,8,9-tetrahydropyrrolo[2,3-f]isoquinoline-5-sulfonamide;hydrochloride is sourced from PubChem (CID 135548432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).