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

C13H16N2O2S — CID 110416248

IUPACN-[(2,5-dimethyl-1H-pyrrol-3-yl)methyl]benzenesulfonamide
SMILESCc1cc(CNS(=O)(=O)c2ccccc2)c(C)[nH]1
InChIInChI=1S/C13H16N2O2S/c1-10-8-12(11(2)15-10)9-14-18(16,17)13-6-4-3-5-7-13/h3-8,14-15H,9H2,1-2H3
InChIKeySURJZRGXVFXGQA-UHFFFAOYSA-N
MW264.35 g/mol
LogP2.11
Rot. Bonds4

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

N-[(2,5-dimethyl-1H-pyrrol-3-yl)methyl]benzenesulfonamide (PubChem CID 110416248) has the molecular formula C13H16N2O2S and a molecular weight of 264.35 g/mol. Its IUPAC name is N-[(2,5-dimethyl-1H-pyrrol-3-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[(2,5-dimethyl-1H-pyrrol-3-yl)methyl]benzenesulfonamide
PubChem CID110416248
Molecular FormulaC13H16N2O2S
Molecular Weight264.35 g/mol
Exact Mass264.09
IUPAC NameN-[(2,5-dimethyl-1H-pyrrol-3-yl)methyl]benzenesulfonamide
SMILESCc1cc(CNS(=O)(=O)c2ccccc2)c(C)[nH]1
InChIInChI=1S/C13H16N2O2S/c1-10-8-12(11(2)15-10)9-14-18(16,17)13-6-4-3-5-7-13/h3-8,14-15H,9H2,1-2H3
InChIKeySURJZRGXVFXGQA-UHFFFAOYSA-N
XLogP2.11
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2,5-dimethyl-1H-pyrrol-3-yl)methyl]-4-fluoro-3-methylbenzenesulfonamide
CID 110416259
N-[(2,5-dimethyl-1H-pyrrol-3-yl)methyl]-1-(2-methylphenyl)methanesulfonamide
CID 110416275
5-bromo-N-[(2,5-dimethyl-1H-pyrrol-3-yl)methyl]thiophene-2-sulfonamide
CID 110416286
N-[(2,5-dimethyl-1H-pyrrol-3-yl)methyl]propane-1-sulfonamide
CID 110416246
N-[(2,5-dimethylphenyl)methyl]benzenesulfonamide;hydrochloride
CID 142645086
N-[(2,5-dimethyl-1H-pyrrol-3-yl)methyl]-2-methoxy-4,5-dimethylbenzenesulfonamide
CID 110641956
N-[(7-methyl-1H-indol-3-yl)methyl]benzenesulfonamide
CID 169029481
N-[(2-tert-butyl-4-methoxyphenyl)methyl]benzenesulfonamide
CID 4303229
N-[(6-methylpyrimidin-4-yl)methyl]benzenesulfonamide
CID 122263618
N-[(5-methylfuran-2-yl)methyl]benzenesulfonamide
CID 64584740
N-[(1,5-dimethylpyrrol-2-yl)methyl]benzenesulfonamide
CID 2815625
N-[2-(2,5-dimethyl-1H-pyrrol-3-yl)ethyl]-1,3-benzodioxole-5-sulfonamide
CID 110415763

Frequently Asked Questions

What is the IUPAC name of N-[(2,5-dimethyl-1H-pyrrol-3-yl)methyl]benzenesulfonamide?
The IUPAC name of N-[(2,5-dimethyl-1H-pyrrol-3-yl)methyl]benzenesulfonamide (CID 110416248) is N-[(2,5-dimethyl-1H-pyrrol-3-yl)methyl]benzenesulfonamide.
What is the SMILES notation for N-[(2,5-dimethyl-1H-pyrrol-3-yl)methyl]benzenesulfonamide?
The canonical SMILES for N-[(2,5-dimethyl-1H-pyrrol-3-yl)methyl]benzenesulfonamide is Cc1cc(CNS(=O)(=O)c2ccccc2)c(C)[nH]1.
What is the InChIKey of N-[(2,5-dimethyl-1H-pyrrol-3-yl)methyl]benzenesulfonamide?
The InChIKey is SURJZRGXVFXGQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2S/c1-10-8-12(11(2)15-10)9-14-18(16,17)13-6-4-3-5-7-13/h3-8,14-15H,9H2,1-2H3.
What are the key properties of N-[(2,5-dimethyl-1H-pyrrol-3-yl)methyl]benzenesulfonamide?
N-[(2,5-dimethyl-1H-pyrrol-3-yl)methyl]benzenesulfonamide has a molecular weight of 264.35 g/mol, XLogP of 2.11, 4 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]benzenesulfonamide is sourced from PubChem (CID 110416248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).