2-hydroxy-N,N,7-trimethyl-3-nitroso-6,8-dihydro-1H-pyrrolo[3,4-g]indole-5-sulfonamide

C13H16N4O4S — CID 135484540

IUPAC2-hydroxy-N,N,7-trimethyl-3-nitroso-6,8-dihydro-1H-pyrrolo[3,4-g]indole-5-sulfonamide
SMILESCN1Cc2c(S(=O)(=O)N(C)C)cc3c(N=O)c(O)[nH]c3c2C1
InChIInChI=1S/C13H16N4O4S/c1-16(2)22(20,21)10-4-7-11(14-13(18)12(7)15-19)9-6-17(3)5-8(9)10/h4,14,18H,5-6H2,1-3H3
InChIKeyZPJJGAUEQIVPRW-UHFFFAOYSA-N
MW324.36 g/mol
LogP1.47
Rot. Bonds3

About 2-hydroxy-N,N,7-trimethyl-3-nitroso-6,8-dihydro-1H-pyrrolo[3,4-g]indole-5-sulfonamide

2-hydroxy-N,N,7-trimethyl-3-nitroso-6,8-dihydro-1H-pyrrolo[3,4-g]indole-5-sulfonamide (PubChem CID 135484540) has the molecular formula C13H16N4O4S and a molecular weight of 324.36 g/mol. Its IUPAC name is 2-hydroxy-N,N,7-trimethyl-3-nitroso-6,8-dihydro-1H-pyrrolo[3,4-g]indole-5-sulfonamide.

Molecular Properties

Compound Name2-hydroxy-N,N,7-trimethyl-3-nitroso-6,8-dihydro-1H-pyrrolo[3,4-g]indole-5-sulfonamide
PubChem CID135484540
Molecular FormulaC13H16N4O4S
Molecular Weight324.36 g/mol
Exact Mass324.09
IUPAC Name2-hydroxy-N,N,7-trimethyl-3-nitroso-6,8-dihydro-1H-pyrrolo[3,4-g]indole-5-sulfonamide
SMILESCN1Cc2c(S(=O)(=O)N(C)C)cc3c(N=O)c(O)[nH]c3c2C1
InChIInChI=1S/C13H16N4O4S/c1-16(2)22(20,21)10-4-7-11(14-13(18)12(7)15-19)9-6-17(3)5-8(9)10/h4,14,18H,5-6H2,1-3H3
InChIKeyZPJJGAUEQIVPRW-UHFFFAOYSA-N
XLogP1.47
TPSA106.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.36
LogP ≤ 51.47
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-6,8-dihydro-1H-pyrrolo[3,4-g]indole-5-sulfonamide?
The IUPAC name of 2-hydroxy-N,N,7-trimethyl-3-nitroso-6,8-dihydro-1H-pyrrolo[3,4-g]indole-5-sulfonamide (CID 135484540) is 2-hydroxy-N,N,7-trimethyl-3-nitroso-6,8-dihydro-1H-pyrrolo[3,4-g]indole-5-sulfonamide.
What is the SMILES notation for 2-hydroxy-N,N,7-trimethyl-3-nitroso-6,8-dihydro-1H-pyrrolo[3,4-g]indole-5-sulfonamide?
The canonical SMILES for 2-hydroxy-N,N,7-trimethyl-3-nitroso-6,8-dihydro-1H-pyrrolo[3,4-g]indole-5-sulfonamide is CN1Cc2c(S(=O)(=O)N(C)C)cc3c(N=O)c(O)[nH]c3c2C1.
What is the InChIKey of 2-hydroxy-N,N,7-trimethyl-3-nitroso-6,8-dihydro-1H-pyrrolo[3,4-g]indole-5-sulfonamide?
The InChIKey is ZPJJGAUEQIVPRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O4S/c1-16(2)22(20,21)10-4-7-11(14-13(18)12(7)15-19)9-6-17(3)5-8(9)10/h4,14,18H,5-6H2,1-3H3.
What are the key properties of 2-hydroxy-N,N,7-trimethyl-3-nitroso-6,8-dihydro-1H-pyrrolo[3,4-g]indole-5-sulfonamide?
2-hydroxy-N,N,7-trimethyl-3-nitroso-6,8-dihydro-1H-pyrrolo[3,4-g]indole-5-sulfonamide has a molecular weight of 324.36 g/mol, XLogP of 1.47, 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-6,8-dihydro-1H-pyrrolo[3,4-g]indole-5-sulfonamide is sourced from PubChem (CID 135484540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).