N-(3-hydroxy-2-phenylcyclopenten-1-yl)-N,4-dimethylbenzenesulfonamide

C19H21NO3S — CID 138969349

IUPACN-(3-hydroxy-2-phenylcyclopenten-1-yl)-N,4-dimethylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(C)C2=C(c3ccccc3)C(O)CC2)cc1
InChIInChI=1S/C19H21NO3S/c1-14-8-10-16(11-9-14)24(22,23)20(2)17-12-13-18(21)19(17)15-6-4-3-5-7-15/h3-11,18,21H,12-13H2,1-2H3
InChIKeyQKISGEBVDZNRKV-UHFFFAOYSA-N
MW343.45 g/mol
LogP3.18
Rot. Bonds4

About N-(3-hydroxy-2-phenylcyclopenten-1-yl)-N,4-dimethylbenzenesulfonamide

N-(3-hydroxy-2-phenylcyclopenten-1-yl)-N,4-dimethylbenzenesulfonamide (PubChem CID 138969349) has the molecular formula C19H21NO3S and a molecular weight of 343.45 g/mol. Its IUPAC name is N-(3-hydroxy-2-phenylcyclopenten-1-yl)-N,4-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-(3-hydroxy-2-phenylcyclopenten-1-yl)-N,4-dimethylbenzenesulfonamide
PubChem CID138969349
Molecular FormulaC19H21NO3S
Molecular Weight343.45 g/mol
Exact Mass343.12
IUPAC NameN-(3-hydroxy-2-phenylcyclopenten-1-yl)-N,4-dimethylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(C)C2=C(c3ccccc3)C(O)CC2)cc1
InChIInChI=1S/C19H21NO3S/c1-14-8-10-16(11-9-14)24(22,23)20(2)17-12-13-18(21)19(17)15-6-4-3-5-7-15/h3-11,18,21H,12-13H2,1-2H3
InChIKeyQKISGEBVDZNRKV-UHFFFAOYSA-N
XLogP3.18
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.45
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-ethoxy-2-phenylcyclopent-2-en-1-yl)-N,4-dimethylbenzenesulfonamide
CID 135062861
N-[(3R)-2-(furan-3-yl)-3-(1H-indol-3-yl)cyclopenten-1-yl]-N,4-dimethylbenzenesulfonamide
CID 138969345
N-methyl-4-phenyl-N-(4-phenylphenyl)benzenesulfonamide
CID 141087488
N-[(1R,2R,3R)-2,3-dihydroxycycloheptyl]-N,4-dimethylbenzenesulfonamide
CID 110125865
azulene;4-methylbenzenesulfonic acid
CID 172756596
N,4-dimethyl-N-(4-methylphenyl)benzenesulfonamide
CID 800890
(2S)-3-methyl-2-[methyl-(4-methylphenyl)sulfonylamino]butanoic acid
CID 14236032
N-[(4R)-4-[(4-methoxyphenyl)methoxymethyl]-5-phenyl-3,4-dihydro-2H-pyran-6-yl]-N,4-dimethylbenzenesulfonamide
CID 134949991
1-methyl-4-(4-phenylphenyl)sulfonylbenzene
CID 2801718
1-methyl-4-[4-(4-phenylphenyl)sulfonylphenyl]benzene
CID 58526721
2-[methyl-(4-phenylphenyl)sulfonylamino]acetic acid
CID 90148129
N-methyl-N-(1-methylpiperidin-4-yl)-4-phenylbenzenesulfonamide
CID 57398674

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxy-2-phenylcyclopenten-1-yl)-N,4-dimethylbenzenesulfonamide?
The IUPAC name of N-(3-hydroxy-2-phenylcyclopenten-1-yl)-N,4-dimethylbenzenesulfonamide (CID 138969349) is N-(3-hydroxy-2-phenylcyclopenten-1-yl)-N,4-dimethylbenzenesulfonamide.
What is the SMILES notation for N-(3-hydroxy-2-phenylcyclopenten-1-yl)-N,4-dimethylbenzenesulfonamide?
The canonical SMILES for N-(3-hydroxy-2-phenylcyclopenten-1-yl)-N,4-dimethylbenzenesulfonamide is Cc1ccc(S(=O)(=O)N(C)C2=C(c3ccccc3)C(O)CC2)cc1.
What is the InChIKey of N-(3-hydroxy-2-phenylcyclopenten-1-yl)-N,4-dimethylbenzenesulfonamide?
The InChIKey is QKISGEBVDZNRKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO3S/c1-14-8-10-16(11-9-14)24(22,23)20(2)17-12-13-18(21)19(17)15-6-4-3-5-7-15/h3-11,18,21H,12-13H2,1-2H3.
What are the key properties of N-(3-hydroxy-2-phenylcyclopenten-1-yl)-N,4-dimethylbenzenesulfonamide?
N-(3-hydroxy-2-phenylcyclopenten-1-yl)-N,4-dimethylbenzenesulfonamide has a molecular weight of 343.45 g/mol, XLogP of 3.18, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxy-2-phenylcyclopenten-1-yl)-N,4-dimethylbenzenesulfonamide is sourced from PubChem (CID 138969349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).