N,N-dimethyl-2-oxotricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaene-5-sulfonamide

C17H17NO3S — CID 21412119

IUPACN,N-dimethyl-2-oxotricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaene-5-sulfonamide
SMILESCN(C)S(=O)(=O)c1ccc2c(c1)C(=O)c1ccccc1CC2
InChIInChI=1S/C17H17NO3S/c1-18(2)22(20,21)14-10-9-13-8-7-12-5-3-4-6-15(12)17(19)16(13)11-14/h3-6,9-11H,7-8H2,1-2H3
InChIKeyVBMVFJIFEVLDGP-UHFFFAOYSA-N
MW315.39 g/mol
LogP2.27
Rot. Bonds2

About N,N-dimethyl-2-oxotricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaene-5-sulfonamide

N,N-dimethyl-2-oxotricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaene-5-sulfonamide (PubChem CID 21412119) has the molecular formula C17H17NO3S and a molecular weight of 315.39 g/mol. Its IUPAC name is N,N-dimethyl-2-oxotricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaene-5-sulfonamide.

Molecular Properties

Compound NameN,N-dimethyl-2-oxotricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaene-5-sulfonamide
PubChem CID21412119
Molecular FormulaC17H17NO3S
Molecular Weight315.39 g/mol
Exact Mass315.09
IUPAC NameN,N-dimethyl-2-oxotricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaene-5-sulfonamide
SMILESCN(C)S(=O)(=O)c1ccc2c(c1)C(=O)c1ccccc1CC2
InChIInChI=1S/C17H17NO3S/c1-18(2)22(20,21)14-10-9-13-8-7-12-5-3-4-6-15(12)17(19)16(13)11-14/h3-6,9-11H,7-8H2,1-2H3
InChIKeyVBMVFJIFEVLDGP-UHFFFAOYSA-N
XLogP2.27
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.39
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-aminotricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaen-2-one
CID 22337735
ethane;5-methoxytricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaen-2-one
CID 90841573
N,N-dimethyl-2,3-dihydro-1H-indole-6-sulfonamide
CID 10376417
[2-[3-(dimethylsulfamoyl)anilino]-2-oxoethyl] 4,5-dihydrobenzo[g][1]benzothiole-2-carboxylate
CID 16512718
6-ethyltricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaen-2-one
CID 22117289
2-naphthalen-2-yl-10H-anthracen-9-one
CID 141288908
3-methylsulfonyl-9H-fluorene
CID 59984556
(9E)-9-[1-hydroxy-3-(4-methylpiperazin-1-yl)propylidene]-N,N-dimethylthioxanthene-2-sulfonamide
CID 147517946
N,N-dimethyl-2-methylsulfonyl-3,4-dihydro-1H-isoquinoline-7-sulfonamide
CID 110644417
N,N-dimethylazulene-5-sulfonamide
CID 67469153
3-(dimethylsulfamoyl)-N-(9H-fluoren-3-yl)benzamide
CID 8699331
2-chloro-5-(dimethylsulfamoyl)-N-(1,2,3,4-tetrahydronaphthalen-2-yl)benzamide
CID 55339904

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-oxotricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaene-5-sulfonamide?
The IUPAC name of N,N-dimethyl-2-oxotricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaene-5-sulfonamide (CID 21412119) is N,N-dimethyl-2-oxotricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaene-5-sulfonamide.
What is the SMILES notation for N,N-dimethyl-2-oxotricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaene-5-sulfonamide?
The canonical SMILES for N,N-dimethyl-2-oxotricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaene-5-sulfonamide is CN(C)S(=O)(=O)c1ccc2c(c1)C(=O)c1ccccc1CC2.
What is the InChIKey of N,N-dimethyl-2-oxotricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaene-5-sulfonamide?
The InChIKey is VBMVFJIFEVLDGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO3S/c1-18(2)22(20,21)14-10-9-13-8-7-12-5-3-4-6-15(12)17(19)16(13)11-14/h3-6,9-11H,7-8H2,1-2H3.
What are the key properties of N,N-dimethyl-2-oxotricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaene-5-sulfonamide?
N,N-dimethyl-2-oxotricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaene-5-sulfonamide has a molecular weight of 315.39 g/mol, XLogP of 2.27, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-oxotricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaene-5-sulfonamide is sourced from PubChem (CID 21412119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).