2-hydroxy-N-methyl-3-nitroso-6,7,8,9-tetrahydro-1H-benzo[g]indole-5-sulfonamide

C13H15N3O4S — CID 135760572

IUPAC2-hydroxy-N-methyl-3-nitroso-6,7,8,9-tetrahydro-1H-benzo[g]indole-5-sulfonamide
SMILESCNS(=O)(=O)c1cc2c(N=O)c(O)[nH]c2c2c1CCCC2
InChIInChI=1S/C13H15N3O4S/c1-14-21(19,20)10-6-9-11(15-13(17)12(9)16-18)8-5-3-2-4-7(8)10/h6,14-15,17H,2-5H2,1H3
InChIKeyLPTSVANVGHPKTB-UHFFFAOYSA-N
MW309.35 g/mol
LogP2.06
Rot. Bonds3

About 2-hydroxy-N-methyl-3-nitroso-6,7,8,9-tetrahydro-1H-benzo[g]indole-5-sulfonamide

2-hydroxy-N-methyl-3-nitroso-6,7,8,9-tetrahydro-1H-benzo[g]indole-5-sulfonamide (PubChem CID 135760572) has the molecular formula C13H15N3O4S and a molecular weight of 309.35 g/mol. Its IUPAC name is 2-hydroxy-N-methyl-3-nitroso-6,7,8,9-tetrahydro-1H-benzo[g]indole-5-sulfonamide.

Molecular Properties

Compound Name2-hydroxy-N-methyl-3-nitroso-6,7,8,9-tetrahydro-1H-benzo[g]indole-5-sulfonamide
PubChem CID135760572
Molecular FormulaC13H15N3O4S
Molecular Weight309.35 g/mol
Exact Mass309.08
IUPAC Name2-hydroxy-N-methyl-3-nitroso-6,7,8,9-tetrahydro-1H-benzo[g]indole-5-sulfonamide
SMILESCNS(=O)(=O)c1cc2c(N=O)c(O)[nH]c2c2c1CCCC2
InChIInChI=1S/C13H15N3O4S/c1-14-21(19,20)10-6-9-11(15-13(17)12(9)16-18)8-5-3-2-4-7(8)10/h6,14-15,17H,2-5H2,1H3
InChIKeyLPTSVANVGHPKTB-UHFFFAOYSA-N
XLogP2.06
TPSA111.62 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.35
LogP ≤ 52.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N-methyl-3-nitroso-6,7,8,9-tetrahydro-1H-benzo[g]indole-5-sulfonamide?
The IUPAC name of 2-hydroxy-N-methyl-3-nitroso-6,7,8,9-tetrahydro-1H-benzo[g]indole-5-sulfonamide (CID 135760572) is 2-hydroxy-N-methyl-3-nitroso-6,7,8,9-tetrahydro-1H-benzo[g]indole-5-sulfonamide.
What is the SMILES notation for 2-hydroxy-N-methyl-3-nitroso-6,7,8,9-tetrahydro-1H-benzo[g]indole-5-sulfonamide?
The canonical SMILES for 2-hydroxy-N-methyl-3-nitroso-6,7,8,9-tetrahydro-1H-benzo[g]indole-5-sulfonamide is CNS(=O)(=O)c1cc2c(N=O)c(O)[nH]c2c2c1CCCC2.
What is the InChIKey of 2-hydroxy-N-methyl-3-nitroso-6,7,8,9-tetrahydro-1H-benzo[g]indole-5-sulfonamide?
The InChIKey is LPTSVANVGHPKTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O4S/c1-14-21(19,20)10-6-9-11(15-13(17)12(9)16-18)8-5-3-2-4-7(8)10/h6,14-15,17H,2-5H2,1H3.
What are the key properties of 2-hydroxy-N-methyl-3-nitroso-6,7,8,9-tetrahydro-1H-benzo[g]indole-5-sulfonamide?
2-hydroxy-N-methyl-3-nitroso-6,7,8,9-tetrahydro-1H-benzo[g]indole-5-sulfonamide has a molecular weight of 309.35 g/mol, XLogP of 2.06, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N-methyl-3-nitroso-6,7,8,9-tetrahydro-1H-benzo[g]indole-5-sulfonamide is sourced from PubChem (CID 135760572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).