N-(1H-cyclopenta[a]naphthalen-3-yl)-N,4-dimethylbenzenesulfonamide

C21H19NO2S — CID 102308987

IUPACN-(1H-cyclopenta[a]naphthalen-3-yl)-N,4-dimethylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(C)C2=CCc3c2ccc2ccccc32)cc1
InChIInChI=1S/C21H19NO2S/c1-15-7-10-17(11-8-15)25(23,24)22(2)21-14-13-19-18-6-4-3-5-16(18)9-12-20(19)21/h3-12,14H,13H2,1-2H3
InChIKeyMNZRKEOKMDUTSA-UHFFFAOYSA-N
MW349.46 g/mol
LogP4.37
Rot. Bonds3

About N-(1H-cyclopenta[a]naphthalen-3-yl)-N,4-dimethylbenzenesulfonamide

N-(1H-cyclopenta[a]naphthalen-3-yl)-N,4-dimethylbenzenesulfonamide (PubChem CID 102308987) has the molecular formula C21H19NO2S and a molecular weight of 349.46 g/mol. Its IUPAC name is N-(1H-cyclopenta[a]naphthalen-3-yl)-N,4-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-(1H-cyclopenta[a]naphthalen-3-yl)-N,4-dimethylbenzenesulfonamide
PubChem CID102308987
Molecular FormulaC21H19NO2S
Molecular Weight349.46 g/mol
Exact Mass349.11
IUPAC NameN-(1H-cyclopenta[a]naphthalen-3-yl)-N,4-dimethylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(C)C2=CCc3c2ccc2ccccc32)cc1
InChIInChI=1S/C21H19NO2S/c1-15-7-10-17(11-8-15)25(23,24)22(2)21-14-13-19-18-6-4-3-5-16(18)9-12-20(19)21/h3-12,14H,13H2,1-2H3
InChIKeyMNZRKEOKMDUTSA-UHFFFAOYSA-N
XLogP4.37
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.46
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N,4-dimethyl-N-(4-methylphenyl)benzenesulfonamide
CID 800890
N-(1-benzothiophen-2-yl)-N,4-dimethylbenzenesulfonamide
CID 166448666
3-propyl-1H-cyclopenta[a]naphthalene
CID 140856502
N,4-dimethyl-N-[3-methylidene-1-(4-methylphenyl)sulfonyl-2,6-dihydropyridin-4-yl]benzenesulfonamide
CID 177490567
8-methylpentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5(10),6,8,14,16,18,20-decaene
CID 159418774
N,4-dimethyl-N-[2-(4-methylphenyl)sulfinylphenyl]benzenesulfonamide
CID 100925407
2-(1H-cyclopenta[a]naphthalen-3-yl)triphenylene
CID 58489360
N-[(4-methylphenyl)methyl]-4-[methyl(phenyl)sulfamoyl]benzamide
CID 4801142
N,4-dimethyl-N-[2-[2-(2-naphthalen-1-ylacetyl)hydrazinyl]-2-oxoethyl]benzenesulfonamide
CID 27681328
N-(6-amino-7-oxocyclohepta-1,3,5-trien-1-yl)-N,4-dimethylbenzenesulfonamide
CID 12557679
4-iodo-2-(4-methylphenyl)sulfonyl-1,3-dihydrobenzo[f]isoindole
CID 102187535
N-[(4-methylphenyl)sulfonylmethyl]naphthalene-2-carboxamide
CID 58811298

Frequently Asked Questions

What is the IUPAC name of N-(1H-cyclopenta[a]naphthalen-3-yl)-N,4-dimethylbenzenesulfonamide?
The IUPAC name of N-(1H-cyclopenta[a]naphthalen-3-yl)-N,4-dimethylbenzenesulfonamide (CID 102308987) is N-(1H-cyclopenta[a]naphthalen-3-yl)-N,4-dimethylbenzenesulfonamide.
What is the SMILES notation for N-(1H-cyclopenta[a]naphthalen-3-yl)-N,4-dimethylbenzenesulfonamide?
The canonical SMILES for N-(1H-cyclopenta[a]naphthalen-3-yl)-N,4-dimethylbenzenesulfonamide is Cc1ccc(S(=O)(=O)N(C)C2=CCc3c2ccc2ccccc32)cc1.
What is the InChIKey of N-(1H-cyclopenta[a]naphthalen-3-yl)-N,4-dimethylbenzenesulfonamide?
The InChIKey is MNZRKEOKMDUTSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19NO2S/c1-15-7-10-17(11-8-15)25(23,24)22(2)21-14-13-19-18-6-4-3-5-16(18)9-12-20(19)21/h3-12,14H,13H2,1-2H3.
What are the key properties of N-(1H-cyclopenta[a]naphthalen-3-yl)-N,4-dimethylbenzenesulfonamide?
N-(1H-cyclopenta[a]naphthalen-3-yl)-N,4-dimethylbenzenesulfonamide has a molecular weight of 349.46 g/mol, XLogP of 4.37, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-cyclopenta[a]naphthalen-3-yl)-N,4-dimethylbenzenesulfonamide is sourced from PubChem (CID 102308987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).