N-[(1-methylpyrrol-2-yl)methyl]-3-propanoylbenzenesulfonamide

C15H18N2O3S — CID 103823772

IUPACN-[(1-methylpyrrol-2-yl)methyl]-3-propanoylbenzenesulfonamide
SMILESCCC(=O)c1cccc(S(=O)(=O)NCc2cccn2C)c1
InChIInChI=1S/C15H18N2O3S/c1-3-15(18)12-6-4-8-14(10-12)21(19,20)16-11-13-7-5-9-17(13)2/h4-10,16H,3,11H2,1-2H3
InChIKeyVZXPLHBBDWGXHY-UHFFFAOYSA-N
MW306.39 g/mol
LogP2.10
Rot. Bonds6

About N-[(1-methylpyrrol-2-yl)methyl]-3-propanoylbenzenesulfonamide

N-[(1-methylpyrrol-2-yl)methyl]-3-propanoylbenzenesulfonamide (PubChem CID 103823772) has the molecular formula C15H18N2O3S and a molecular weight of 306.39 g/mol. Its IUPAC name is N-[(1-methylpyrrol-2-yl)methyl]-3-propanoylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(1-methylpyrrol-2-yl)methyl]-3-propanoylbenzenesulfonamide
PubChem CID103823772
Molecular FormulaC15H18N2O3S
Molecular Weight306.39 g/mol
Exact Mass306.10
IUPAC NameN-[(1-methylpyrrol-2-yl)methyl]-3-propanoylbenzenesulfonamide
SMILESCCC(=O)c1cccc(S(=O)(=O)NCc2cccn2C)c1
InChIInChI=1S/C15H18N2O3S/c1-3-15(18)12-6-4-8-14(10-12)21(19,20)16-11-13-7-5-9-17(13)2/h4-10,16H,3,11H2,1-2H3
InChIKeyVZXPLHBBDWGXHY-UHFFFAOYSA-N
XLogP2.10
TPSA68.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-acetyl-N-[(1-methylpyrrol-2-yl)methyl]benzenesulfonamide
CID 103710722
4-acetyl-N-[(1-methylpyrrol-2-yl)methyl]benzenesulfonamide
CID 103710698
N-[2-(methylamino)ethyl]-3-propanoylbenzenesulfonamide;hydrochloride
CID 119973412
N-(2,2-difluoroethyl)-3-propanoylbenzenesulfonamide
CID 115282992
N-(3,3-difluoro-2-hydroxypropyl)-3-propanoylbenzenesulfonamide
CID 103836741
N-(3-methylbut-2-enyl)-3-propanoylbenzenesulfonamide
CID 103526960
N-(2-methylbutyl)-3-propanoylbenzenesulfonamide
CID 62691641
N-[2-(dimethylamino)ethyl]-3-propanoylbenzenesulfonamide
CID 39384795
3-[(3-propanoylphenyl)sulfonylamino]propanamide
CID 60873632
3-propanoyl-N-(3,3,3-trifluoro-2-hydroxypropyl)benzenesulfonamide
CID 103833970
3-propanoyl-N-(1H-1,2,4-triazol-5-ylmethyl)benzenesulfonamide
CID 61253931
3-bromo-4-chloro-N-[(1-methylpyrrol-2-yl)methyl]benzenesulfonamide
CID 106546394

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylpyrrol-2-yl)methyl]-3-propanoylbenzenesulfonamide?
The IUPAC name of N-[(1-methylpyrrol-2-yl)methyl]-3-propanoylbenzenesulfonamide (CID 103823772) is N-[(1-methylpyrrol-2-yl)methyl]-3-propanoylbenzenesulfonamide.
What is the SMILES notation for N-[(1-methylpyrrol-2-yl)methyl]-3-propanoylbenzenesulfonamide?
The canonical SMILES for N-[(1-methylpyrrol-2-yl)methyl]-3-propanoylbenzenesulfonamide is CCC(=O)c1cccc(S(=O)(=O)NCc2cccn2C)c1.
What is the InChIKey of N-[(1-methylpyrrol-2-yl)methyl]-3-propanoylbenzenesulfonamide?
The InChIKey is VZXPLHBBDWGXHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3S/c1-3-15(18)12-6-4-8-14(10-12)21(19,20)16-11-13-7-5-9-17(13)2/h4-10,16H,3,11H2,1-2H3.
What are the key properties of N-[(1-methylpyrrol-2-yl)methyl]-3-propanoylbenzenesulfonamide?
N-[(1-methylpyrrol-2-yl)methyl]-3-propanoylbenzenesulfonamide has a molecular weight of 306.39 g/mol, XLogP of 2.10, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylpyrrol-2-yl)methyl]-3-propanoylbenzenesulfonamide is sourced from PubChem (CID 103823772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).