1-(4-cyanophenyl)-N-(1H-pyrrol-3-ylmethyl)methanesulfonamide

C13H13N3O2S — CID 106384997

IUPAC1-(4-cyanophenyl)-N-(1H-pyrrol-3-ylmethyl)methanesulfonamide
SMILESN#Cc1ccc(CS(=O)(=O)NCc2cc[nH]c2)cc1
InChIInChI=1S/C13H13N3O2S/c14-7-11-1-3-12(4-2-11)10-19(17,18)16-9-13-5-6-15-8-13/h1-6,8,15-16H,9-10H2
InChIKeyRPDZTGDMHCHBGU-UHFFFAOYSA-N
MW275.33 g/mol
LogP1.51
Rot. Bonds5

About 1-(4-cyanophenyl)-N-(1H-pyrrol-3-ylmethyl)methanesulfonamide

1-(4-cyanophenyl)-N-(1H-pyrrol-3-ylmethyl)methanesulfonamide (PubChem CID 106384997) has the molecular formula C13H13N3O2S and a molecular weight of 275.33 g/mol. Its IUPAC name is 1-(4-cyanophenyl)-N-(1H-pyrrol-3-ylmethyl)methanesulfonamide.

Molecular Properties

Compound Name1-(4-cyanophenyl)-N-(1H-pyrrol-3-ylmethyl)methanesulfonamide
PubChem CID106384997
Molecular FormulaC13H13N3O2S
Molecular Weight275.33 g/mol
Exact Mass275.07
IUPAC Name1-(4-cyanophenyl)-N-(1H-pyrrol-3-ylmethyl)methanesulfonamide
SMILESN#Cc1ccc(CS(=O)(=O)NCc2cc[nH]c2)cc1
InChIInChI=1S/C13H13N3O2S/c14-7-11-1-3-12(4-2-11)10-19(17,18)16-9-13-5-6-15-8-13/h1-6,8,15-16H,9-10H2
InChIKeyRPDZTGDMHCHBGU-UHFFFAOYSA-N
XLogP1.51
TPSA85.75 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.33
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(1H-pyrrol-3-ylmethylamino)benzonitrile
CID 66407609
1-(4-cyanophenyl)-N-[(6-methyl-3-pyridinyl)methyl]methanesulfonamide
CID 61067577
N-[(4-cyanophenyl)methyl]-2-hydroxyethanesulfonamide
CID 79578689
1-(4-cyanophenyl)-N-(thiophen-2-ylmethyl)methanesulfonamide
CID 43242571
2-(4-cyanophenoxy)-N-(1H-pyrrol-3-ylmethyl)acetamide
CID 106384989
3-(1H-pyrrol-3-ylmethylsulfamoylmethyl)benzoic acid
CID 106384516
N-[(4-bromothiophen-2-yl)methyl]-1-(4-cyanophenyl)methanesulfonamide
CID 61068581
N-[(4-cyanophenyl)methyl]-3-methylbutane-1-sulfonamide
CID 55261185
1-(4-cyanophenyl)-N-(2-thiomorpholin-4-ylethyl)methanesulfonamide
CID 106325562
N-but-3-enyl-1-(4-cyanophenyl)methanesulfonamide
CID 113465544
N-[(4-cyanophenyl)methyl]-1-cyclohexylmethanesulfonamide
CID 62268773
1-(4-cyanophenyl)-N-(4-cyano-1H-pyrazol-5-yl)methanesulfonamide
CID 79503770

Frequently Asked Questions

What is the IUPAC name of 1-(4-cyanophenyl)-N-(1H-pyrrol-3-ylmethyl)methanesulfonamide?
The IUPAC name of 1-(4-cyanophenyl)-N-(1H-pyrrol-3-ylmethyl)methanesulfonamide (CID 106384997) is 1-(4-cyanophenyl)-N-(1H-pyrrol-3-ylmethyl)methanesulfonamide.
What is the SMILES notation for 1-(4-cyanophenyl)-N-(1H-pyrrol-3-ylmethyl)methanesulfonamide?
The canonical SMILES for 1-(4-cyanophenyl)-N-(1H-pyrrol-3-ylmethyl)methanesulfonamide is N#Cc1ccc(CS(=O)(=O)NCc2cc[nH]c2)cc1.
What is the InChIKey of 1-(4-cyanophenyl)-N-(1H-pyrrol-3-ylmethyl)methanesulfonamide?
The InChIKey is RPDZTGDMHCHBGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O2S/c14-7-11-1-3-12(4-2-11)10-19(17,18)16-9-13-5-6-15-8-13/h1-6,8,15-16H,9-10H2.
What are the key properties of 1-(4-cyanophenyl)-N-(1H-pyrrol-3-ylmethyl)methanesulfonamide?
1-(4-cyanophenyl)-N-(1H-pyrrol-3-ylmethyl)methanesulfonamide has a molecular weight of 275.33 g/mol, XLogP of 1.51, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyanophenyl)-N-(1H-pyrrol-3-ylmethyl)methanesulfonamide is sourced from PubChem (CID 106384997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).