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

C11H13ClN4O4S — CID 135548435

IUPAC2-hydroxy-7-methyl-3-nitroso-6,8-dihydro-1H-pyrrolo[3,4-g]indole-5-sulfonamide;hydrochloride
SMILESCN1Cc2c(S(N)(=O)=O)cc3c(N=O)c(O)[nH]c3c2C1.Cl
InChIInChI=1S/C11H12N4O4S.ClH/c1-15-3-6-7(4-15)9-5(2-8(6)20(12,18)19)10(14-17)11(16)13-9;/h2,13,16H,3-4H2,1H3,(H2,12,18,19);1H
InChIKeyOYEFRMYWFLVETL-UHFFFAOYSA-N
MW332.77 g/mol
LogP1.29
Rot. Bonds2

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

2-hydroxy-7-methyl-3-nitroso-6,8-dihydro-1H-pyrrolo[3,4-g]indole-5-sulfonamide;hydrochloride (PubChem CID 135548435) has the molecular formula C11H13ClN4O4S and a molecular weight of 332.77 g/mol. Its IUPAC name is 2-hydroxy-7-methyl-3-nitroso-6,8-dihydro-1H-pyrrolo[3,4-g]indole-5-sulfonamide;hydrochloride.

Molecular Properties

Compound Name2-hydroxy-7-methyl-3-nitroso-6,8-dihydro-1H-pyrrolo[3,4-g]indole-5-sulfonamide;hydrochloride
PubChem CID135548435
Molecular FormulaC11H13ClN4O4S
Molecular Weight332.77 g/mol
Exact Mass332.03
IUPAC Name2-hydroxy-7-methyl-3-nitroso-6,8-dihydro-1H-pyrrolo[3,4-g]indole-5-sulfonamide;hydrochloride
SMILESCN1Cc2c(S(N)(=O)=O)cc3c(N=O)c(O)[nH]c3c2C1.Cl
InChIInChI=1S/C11H12N4O4S.ClH/c1-15-3-6-7(4-15)9-5(2-8(6)20(12,18)19)10(14-17)11(16)13-9;/h2,13,16H,3-4H2,1H3,(H2,12,18,19);1H
InChIKeyOYEFRMYWFLVETL-UHFFFAOYSA-N
XLogP1.29
TPSA128.85 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.77
LogP ≤ 51.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-7-methyl-3-nitroso-6,8-dihydro-1H-pyrrolo[3,4-g]indole-5-sulfonamide;hydrochloride?
The IUPAC name of 2-hydroxy-7-methyl-3-nitroso-6,8-dihydro-1H-pyrrolo[3,4-g]indole-5-sulfonamide;hydrochloride (CID 135548435) is 2-hydroxy-7-methyl-3-nitroso-6,8-dihydro-1H-pyrrolo[3,4-g]indole-5-sulfonamide;hydrochloride.
What is the SMILES notation for 2-hydroxy-7-methyl-3-nitroso-6,8-dihydro-1H-pyrrolo[3,4-g]indole-5-sulfonamide;hydrochloride?
The canonical SMILES for 2-hydroxy-7-methyl-3-nitroso-6,8-dihydro-1H-pyrrolo[3,4-g]indole-5-sulfonamide;hydrochloride is CN1Cc2c(S(N)(=O)=O)cc3c(N=O)c(O)[nH]c3c2C1.Cl.
What is the InChIKey of 2-hydroxy-7-methyl-3-nitroso-6,8-dihydro-1H-pyrrolo[3,4-g]indole-5-sulfonamide;hydrochloride?
The InChIKey is OYEFRMYWFLVETL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O4S.ClH/c1-15-3-6-7(4-15)9-5(2-8(6)20(12,18)19)10(14-17)11(16)13-9;/h2,13,16H,3-4H2,1H3,(H2,12,18,19);1H.
What are the key properties of 2-hydroxy-7-methyl-3-nitroso-6,8-dihydro-1H-pyrrolo[3,4-g]indole-5-sulfonamide;hydrochloride?
2-hydroxy-7-methyl-3-nitroso-6,8-dihydro-1H-pyrrolo[3,4-g]indole-5-sulfonamide;hydrochloride has a molecular weight of 332.77 g/mol, XLogP of 1.29, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-7-methyl-3-nitroso-6,8-dihydro-1H-pyrrolo[3,4-g]indole-5-sulfonamide;hydrochloride is sourced from PubChem (CID 135548435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).