N-[[1-[(4-methylphenyl)methyl]pyrrol-2-yl]methyl]methanesulfonamide

C14H18N2O2S — CID 53000340

IUPACN-[[1-[(4-methylphenyl)methyl]pyrrol-2-yl]methyl]methanesulfonamide
SMILESCc1ccc(Cn2cccc2CNS(C)(=O)=O)cc1
InChIInChI=1S/C14H18N2O2S/c1-12-5-7-13(8-6-12)11-16-9-3-4-14(16)10-15-19(2,17)18/h3-9,15H,10-11H2,1-2H3
InChIKeyRHGONAFSDPVDHF-UHFFFAOYSA-N
MW278.38 g/mol
LogP1.89
Rot. Bonds5

About N-[[1-[(4-methylphenyl)methyl]pyrrol-2-yl]methyl]methanesulfonamide

N-[[1-[(4-methylphenyl)methyl]pyrrol-2-yl]methyl]methanesulfonamide (PubChem CID 53000340) has the molecular formula C14H18N2O2S and a molecular weight of 278.38 g/mol. Its IUPAC name is N-[[1-[(4-methylphenyl)methyl]pyrrol-2-yl]methyl]methanesulfonamide.

Molecular Properties

Compound NameN-[[1-[(4-methylphenyl)methyl]pyrrol-2-yl]methyl]methanesulfonamide
PubChem CID53000340
Molecular FormulaC14H18N2O2S
Molecular Weight278.38 g/mol
Exact Mass278.11
IUPAC NameN-[[1-[(4-methylphenyl)methyl]pyrrol-2-yl]methyl]methanesulfonamide
SMILESCc1ccc(Cn2cccc2CNS(C)(=O)=O)cc1
InChIInChI=1S/C14H18N2O2S/c1-12-5-7-13(8-6-12)11-16-9-3-4-14(16)10-15-19(2,17)18/h3-9,15H,10-11H2,1-2H3
InChIKeyRHGONAFSDPVDHF-UHFFFAOYSA-N
XLogP1.89
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.38
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-N-[[1-[(4-methylphenyl)methyl]pyrrol-2-yl]methyl]benzenesulfonamide
CID 53000346
3,5-dimethyl-N-[[1-[(4-methylphenyl)methyl]pyrrol-2-yl]methyl]-1,2-oxazole-4-sulfonamide
CID 53000362
3,4-dimethoxy-N-[[1-[(4-methylphenyl)methyl]pyrrol-2-yl]methyl]benzenesulfonamide
CID 53000353
N-[1-[(4-methylphenyl)methyl]-2-oxo-3-pyridinyl]methanesulfonamide
CID 6488641
N-[[1-[(4-chlorophenyl)methyl]pyrrol-2-yl]methyl]-4-methoxybenzenesulfonamide
CID 20963896
3-chloro-N-[[1-[(4-chlorophenyl)methyl]pyrrol-2-yl]methyl]-4-fluorobenzenesulfonamide
CID 20963907
2-chloro-N-[[1-[(4-methylphenyl)methyl]pyrrol-2-yl]methyl]-N-propan-2-ylpropanamide
CID 42762771
4-chloro-N-[[1-[(4-methylphenyl)methyl]pyrrol-2-yl]methyl]-N-propan-2-ylbenzenesulfonamide
CID 3925857
N-[(1-benzylpyrrol-2-yl)methyl]-3-chlorobenzenesulfonamide
CID 53000302
N-[[1-[(4-chlorophenyl)methyl]pyrrol-2-yl]methyl]ethanamine
CID 66401762
1-(4-methylphenyl)-N-[(1-propylpyrrol-2-yl)methyl]methanamine
CID 66413651
N-[[1-[(4-bromophenyl)methyl]pyrrol-2-yl]methyl]ethanamine
CID 66403702

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(4-methylphenyl)methyl]pyrrol-2-yl]methyl]methanesulfonamide?
The IUPAC name of N-[[1-[(4-methylphenyl)methyl]pyrrol-2-yl]methyl]methanesulfonamide (CID 53000340) is N-[[1-[(4-methylphenyl)methyl]pyrrol-2-yl]methyl]methanesulfonamide.
What is the SMILES notation for N-[[1-[(4-methylphenyl)methyl]pyrrol-2-yl]methyl]methanesulfonamide?
The canonical SMILES for N-[[1-[(4-methylphenyl)methyl]pyrrol-2-yl]methyl]methanesulfonamide is Cc1ccc(Cn2cccc2CNS(C)(=O)=O)cc1.
What is the InChIKey of N-[[1-[(4-methylphenyl)methyl]pyrrol-2-yl]methyl]methanesulfonamide?
The InChIKey is RHGONAFSDPVDHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2S/c1-12-5-7-13(8-6-12)11-16-9-3-4-14(16)10-15-19(2,17)18/h3-9,15H,10-11H2,1-2H3.
What are the key properties of N-[[1-[(4-methylphenyl)methyl]pyrrol-2-yl]methyl]methanesulfonamide?
N-[[1-[(4-methylphenyl)methyl]pyrrol-2-yl]methyl]methanesulfonamide has a molecular weight of 278.38 g/mol, XLogP of 1.89, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(4-methylphenyl)methyl]pyrrol-2-yl]methyl]methanesulfonamide is sourced from PubChem (CID 53000340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).