N-[(2,5-dimethyl-1H-pyrrol-3-yl)methyl]-1-(2-methylphenyl)methanesulfonamide

C15H20N2O2S — CID 110416275

IUPACN-[(2,5-dimethyl-1H-pyrrol-3-yl)methyl]-1-(2-methylphenyl)methanesulfonamide
SMILESCc1cc(CNS(=O)(=O)Cc2ccccc2C)c(C)[nH]1
InChIInChI=1S/C15H20N2O2S/c1-11-6-4-5-7-14(11)10-20(18,19)16-9-15-8-12(2)17-13(15)3/h4-8,16-17H,9-10H2,1-3H3
InChIKeyQMMPATULNNHNRE-UHFFFAOYSA-N
MW292.40 g/mol
LogP2.56
Rot. Bonds5

About N-[(2,5-dimethyl-1H-pyrrol-3-yl)methyl]-1-(2-methylphenyl)methanesulfonamide

N-[(2,5-dimethyl-1H-pyrrol-3-yl)methyl]-1-(2-methylphenyl)methanesulfonamide (PubChem CID 110416275) has the molecular formula C15H20N2O2S and a molecular weight of 292.40 g/mol. Its IUPAC name is N-[(2,5-dimethyl-1H-pyrrol-3-yl)methyl]-1-(2-methylphenyl)methanesulfonamide.

Molecular Properties

Compound NameN-[(2,5-dimethyl-1H-pyrrol-3-yl)methyl]-1-(2-methylphenyl)methanesulfonamide
PubChem CID110416275
Molecular FormulaC15H20N2O2S
Molecular Weight292.40 g/mol
Exact Mass292.12
IUPAC NameN-[(2,5-dimethyl-1H-pyrrol-3-yl)methyl]-1-(2-methylphenyl)methanesulfonamide
SMILESCc1cc(CNS(=O)(=O)Cc2ccccc2C)c(C)[nH]1
InChIInChI=1S/C15H20N2O2S/c1-11-6-4-5-7-14(11)10-20(18,19)16-9-15-8-12(2)17-13(15)3/h4-8,16-17H,9-10H2,1-3H3
InChIKeyQMMPATULNNHNRE-UHFFFAOYSA-N
XLogP2.56
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2,5-dimethyl-1H-pyrrol-3-yl)methyl]propane-1-sulfonamide
CID 110416246
N-[(2,5-dimethyl-1H-pyrrol-3-yl)methyl]benzenesulfonamide
CID 110416248
N-[(4-fluorophenyl)methyl]-1-(2-methylphenyl)methanesulfonamide
CID 38005786
1-(2-methylphenyl)-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]methanesulfonamide
CID 110642109
N-[(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(2-methylphenyl)methanesulfonamide
CID 110325538
N-[(3-methyl-2-oxo-1H-quinolin-6-yl)methyl]-1-(2-methylphenyl)methanesulfonamide
CID 110666149
N-[(5-methylfuran-2-yl)methyl]-1-(2-methylphenyl)methanesulfonamide
CID 110731718
N-[(2,5-dimethyl-1H-pyrrol-3-yl)methyl]-4-fluoro-3-methylbenzenesulfonamide
CID 110416259
methanesulfonic acid;1-(2-methylphenyl)-N-[(2-methylphenyl)methyl]methanamine
CID 173322724
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-(2-methylphenyl)methanesulfonamide
CID 110731013
1-[3-(aminomethyl)phenyl]-N-[(2-methylphenyl)methyl]methanesulfonamide
CID 60979279
N-[3-[[(2-methylphenyl)methylsulfonylamino]methyl]phenyl]acetamide
CID 131961898

Frequently Asked Questions

What is the IUPAC name of N-[(2,5-dimethyl-1H-pyrrol-3-yl)methyl]-1-(2-methylphenyl)methanesulfonamide?
The IUPAC name of N-[(2,5-dimethyl-1H-pyrrol-3-yl)methyl]-1-(2-methylphenyl)methanesulfonamide (CID 110416275) is N-[(2,5-dimethyl-1H-pyrrol-3-yl)methyl]-1-(2-methylphenyl)methanesulfonamide.
What is the SMILES notation for N-[(2,5-dimethyl-1H-pyrrol-3-yl)methyl]-1-(2-methylphenyl)methanesulfonamide?
The canonical SMILES for N-[(2,5-dimethyl-1H-pyrrol-3-yl)methyl]-1-(2-methylphenyl)methanesulfonamide is Cc1cc(CNS(=O)(=O)Cc2ccccc2C)c(C)[nH]1.
What is the InChIKey of N-[(2,5-dimethyl-1H-pyrrol-3-yl)methyl]-1-(2-methylphenyl)methanesulfonamide?
The InChIKey is QMMPATULNNHNRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2S/c1-11-6-4-5-7-14(11)10-20(18,19)16-9-15-8-12(2)17-13(15)3/h4-8,16-17H,9-10H2,1-3H3.
What are the key properties of N-[(2,5-dimethyl-1H-pyrrol-3-yl)methyl]-1-(2-methylphenyl)methanesulfonamide?
N-[(2,5-dimethyl-1H-pyrrol-3-yl)methyl]-1-(2-methylphenyl)methanesulfonamide has a molecular weight of 292.40 g/mol, XLogP of 2.56, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-dimethyl-1H-pyrrol-3-yl)methyl]-1-(2-methylphenyl)methanesulfonamide is sourced from PubChem (CID 110416275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).