N,N,11-trimethyl-6-oxo-5H-benzo[b][1,4]benzodiazepine-3-sulfonamide

C16H17N3O3S — CID 164683168

IUPACN,N,11-trimethyl-6-oxo-5H-benzo[b][1,4]benzodiazepine-3-sulfonamide
SMILESCN1c2ccc(S(=O)(=O)N(C)C)cc2NC(=O)c2ccccc21
InChIInChI=1S/C16H17N3O3S/c1-18(2)23(21,22)11-8-9-15-13(10-11)17-16(20)12-6-4-5-7-14(12)19(15)3/h4-10H,1-3H3,(H,17,20)
InChIKeyOSKMBKJVMSXMRO-UHFFFAOYSA-N
MW331.40 g/mol
LogP2.27
Rot. Bonds2

About N,N,11-trimethyl-6-oxo-5H-benzo[b][1,4]benzodiazepine-3-sulfonamide

N,N,11-trimethyl-6-oxo-5H-benzo[b][1,4]benzodiazepine-3-sulfonamide (PubChem CID 164683168) has the molecular formula C16H17N3O3S and a molecular weight of 331.40 g/mol. Its IUPAC name is N,N,11-trimethyl-6-oxo-5H-benzo[b][1,4]benzodiazepine-3-sulfonamide.

Molecular Properties

Compound NameN,N,11-trimethyl-6-oxo-5H-benzo[b][1,4]benzodiazepine-3-sulfonamide
PubChem CID164683168
Molecular FormulaC16H17N3O3S
Molecular Weight331.40 g/mol
Exact Mass331.10
IUPAC NameN,N,11-trimethyl-6-oxo-5H-benzo[b][1,4]benzodiazepine-3-sulfonamide
SMILESCN1c2ccc(S(=O)(=O)N(C)C)cc2NC(=O)c2ccccc21
InChIInChI=1S/C16H17N3O3S/c1-18(2)23(21,22)11-8-9-15-13(10-11)17-16(20)12-6-4-5-7-14(12)19(15)3/h4-10H,1-3H3,(H,17,20)
InChIKeyOSKMBKJVMSXMRO-UHFFFAOYSA-N
XLogP2.27
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.40
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N,N,11-trimethyl-3-(methylamino)-6-oxo-5H-pyrimido[5,4-b][1,4]benzodiazepine-8-sulfonamide
CID 86269663
1-ethyl-N,N-dimethyl-3-oxo-2,4-dihydroquinoxaline-6-sulfonamide
CID 46344065
3-chloro-N,N-dimethyl-6-oxo-5H-benzo[b][1,4]benzoxazepine-8-sulfonamide
CID 50812335
11-methyl-6-oxo-N-(2-pyrimidin-5-ylethyl)-5H-benzo[b][1,4]benzodiazepine-3-carboxamide
CID 118373599
N,N-dimethyl-2-oxotricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaene-5-sulfonamide
CID 21412119
1-(2-methoxyphenyl)-N,N-dimethyl-2-oxo-3H-benzimidazole-5-sulfonamide
CID 19771137
2-amino-11-methyl-5H-pyrido[2,3-b][1,4]benzodiazepin-1-ium-6-one chloride
CID 136821651
N,N-dimethyl-3-[(2-methyl-1H-indol-3-yl)methylidene]-2-oxo-1H-indole-5-sulfonamide
CID 69345180
7,10-dimethyl-5H-thieno[3,4-b][1,5]benzodiazepin-4-one
CID 21455256
N,2-dimethyl-1,3-dioxo-N-phenylisoindole-5-sulfonamide
CID 51702772
N-methyl-6-oxo-N-phenyl-5H-benzo[b][1,4]benzoxazepine-8-sulfonamide
CID 42648434
3-(1H-indol-2-yl)-N,N-dimethyl-4-(3-oxopyrrolidin-1-yl)benzenesulfonamide
CID 168941261

Frequently Asked Questions

What is the IUPAC name of N,N,11-trimethyl-6-oxo-5H-benzo[b][1,4]benzodiazepine-3-sulfonamide?
The IUPAC name of N,N,11-trimethyl-6-oxo-5H-benzo[b][1,4]benzodiazepine-3-sulfonamide (CID 164683168) is N,N,11-trimethyl-6-oxo-5H-benzo[b][1,4]benzodiazepine-3-sulfonamide.
What is the SMILES notation for N,N,11-trimethyl-6-oxo-5H-benzo[b][1,4]benzodiazepine-3-sulfonamide?
The canonical SMILES for N,N,11-trimethyl-6-oxo-5H-benzo[b][1,4]benzodiazepine-3-sulfonamide is CN1c2ccc(S(=O)(=O)N(C)C)cc2NC(=O)c2ccccc21.
What is the InChIKey of N,N,11-trimethyl-6-oxo-5H-benzo[b][1,4]benzodiazepine-3-sulfonamide?
The InChIKey is OSKMBKJVMSXMRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O3S/c1-18(2)23(21,22)11-8-9-15-13(10-11)17-16(20)12-6-4-5-7-14(12)19(15)3/h4-10H,1-3H3,(H,17,20).
What are the key properties of N,N,11-trimethyl-6-oxo-5H-benzo[b][1,4]benzodiazepine-3-sulfonamide?
N,N,11-trimethyl-6-oxo-5H-benzo[b][1,4]benzodiazepine-3-sulfonamide has a molecular weight of 331.40 g/mol, XLogP of 2.27, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,11-trimethyl-6-oxo-5H-benzo[b][1,4]benzodiazepine-3-sulfonamide is sourced from PubChem (CID 164683168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).