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

C14H17N3O4S — CID 135418396

IUPAC2-hydroxy-N,N-dimethyl-3-nitroso-6,7,8,9-tetrahydro-1H-benzo[g]indole-5-sulfonamide
SMILESCN(C)S(=O)(=O)c1cc2c(N=O)c(O)[nH]c2c2c1CCCC2
InChIInChI=1S/C14H17N3O4S/c1-17(2)22(20,21)11-7-10-12(15-14(18)13(10)16-19)9-6-4-3-5-8(9)11/h7,15,18H,3-6H2,1-2H3
InChIKeyWJFLIEWDZIJXPZ-UHFFFAOYSA-N
MW323.37 g/mol
LogP2.40
Rot. Bonds3

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

2-hydroxy-N,N-dimethyl-3-nitroso-6,7,8,9-tetrahydro-1H-benzo[g]indole-5-sulfonamide (PubChem CID 135418396) has the molecular formula C14H17N3O4S and a molecular weight of 323.37 g/mol. Its IUPAC name is 2-hydroxy-N,N-dimethyl-3-nitroso-6,7,8,9-tetrahydro-1H-benzo[g]indole-5-sulfonamide.

Molecular Properties

Compound Name2-hydroxy-N,N-dimethyl-3-nitroso-6,7,8,9-tetrahydro-1H-benzo[g]indole-5-sulfonamide
PubChem CID135418396
Molecular FormulaC14H17N3O4S
Molecular Weight323.37 g/mol
Exact Mass323.09
IUPAC Name2-hydroxy-N,N-dimethyl-3-nitroso-6,7,8,9-tetrahydro-1H-benzo[g]indole-5-sulfonamide
SMILESCN(C)S(=O)(=O)c1cc2c(N=O)c(O)[nH]c2c2c1CCCC2
InChIInChI=1S/C14H17N3O4S/c1-17(2)22(20,21)11-7-10-12(15-14(18)13(10)16-19)9-6-4-3-5-8(9)11/h7,15,18H,3-6H2,1-2H3
InChIKeyWJFLIEWDZIJXPZ-UHFFFAOYSA-N
XLogP2.40
TPSA102.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.37
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N,N-dimethyl-3-nitroso-6,7,8,9-tetrahydro-1H-benzo[g]indole-5-sulfonamide?
The IUPAC name of 2-hydroxy-N,N-dimethyl-3-nitroso-6,7,8,9-tetrahydro-1H-benzo[g]indole-5-sulfonamide (CID 135418396) is 2-hydroxy-N,N-dimethyl-3-nitroso-6,7,8,9-tetrahydro-1H-benzo[g]indole-5-sulfonamide.
What is the SMILES notation for 2-hydroxy-N,N-dimethyl-3-nitroso-6,7,8,9-tetrahydro-1H-benzo[g]indole-5-sulfonamide?
The canonical SMILES for 2-hydroxy-N,N-dimethyl-3-nitroso-6,7,8,9-tetrahydro-1H-benzo[g]indole-5-sulfonamide is CN(C)S(=O)(=O)c1cc2c(N=O)c(O)[nH]c2c2c1CCCC2.
What is the InChIKey of 2-hydroxy-N,N-dimethyl-3-nitroso-6,7,8,9-tetrahydro-1H-benzo[g]indole-5-sulfonamide?
The InChIKey is WJFLIEWDZIJXPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O4S/c1-17(2)22(20,21)11-7-10-12(15-14(18)13(10)16-19)9-6-4-3-5-8(9)11/h7,15,18H,3-6H2,1-2H3.
What are the key properties of 2-hydroxy-N,N-dimethyl-3-nitroso-6,7,8,9-tetrahydro-1H-benzo[g]indole-5-sulfonamide?
2-hydroxy-N,N-dimethyl-3-nitroso-6,7,8,9-tetrahydro-1H-benzo[g]indole-5-sulfonamide has a molecular weight of 323.37 g/mol, XLogP of 2.40, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N,N-dimethyl-3-nitroso-6,7,8,9-tetrahydro-1H-benzo[g]indole-5-sulfonamide is sourced from PubChem (CID 135418396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).