4-(5-cyano-1-methylpyrrol-2-yl)-N-cyclopropylbenzenesulfonamide

C15H15N3O2S — CID 24896574

IUPAC4-(5-cyano-1-methylpyrrol-2-yl)-N-cyclopropylbenzenesulfonamide
SMILESCn1c(C#N)ccc1-c1ccc(S(=O)(=O)NC2CC2)cc1
InChIInChI=1S/C15H15N3O2S/c1-18-13(10-16)6-9-15(18)11-2-7-14(8-3-11)21(19,20)17-12-4-5-12/h2-3,6-9,12,17H,4-5H2,1H3
InChIKeyUBCRKQYVRVRZFM-UHFFFAOYSA-N
MW301.37 g/mol
LogP2.00
Rot. Bonds4

About 4-(5-cyano-1-methylpyrrol-2-yl)-N-cyclopropylbenzenesulfonamide

4-(5-cyano-1-methylpyrrol-2-yl)-N-cyclopropylbenzenesulfonamide (PubChem CID 24896574) has the molecular formula C15H15N3O2S and a molecular weight of 301.37 g/mol. Its IUPAC name is 4-(5-cyano-1-methylpyrrol-2-yl)-N-cyclopropylbenzenesulfonamide.

Molecular Properties

Compound Name4-(5-cyano-1-methylpyrrol-2-yl)-N-cyclopropylbenzenesulfonamide
PubChem CID24896574
Molecular FormulaC15H15N3O2S
Molecular Weight301.37 g/mol
Exact Mass301.09
IUPAC Name4-(5-cyano-1-methylpyrrol-2-yl)-N-cyclopropylbenzenesulfonamide
SMILESCn1c(C#N)ccc1-c1ccc(S(=O)(=O)NC2CC2)cc1
InChIInChI=1S/C15H15N3O2S/c1-18-13(10-16)6-9-15(18)11-2-7-14(8-3-11)21(19,20)17-12-4-5-12/h2-3,6-9,12,17H,4-5H2,1H3
InChIKeyUBCRKQYVRVRZFM-UHFFFAOYSA-N
XLogP2.00
TPSA74.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.37
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-4-phenylbenzenesulfonamide
CID 110757630
4-cyano-N-cyclobutylbenzenesulfonamide
CID 25047960
4-cyano-N-[4-(cyclopropylsulfamoyl)phenyl]benzenesulfonamide
CID 24602920
N-[1-(cyanomethyl)piperidin-4-yl]-4-methylbenzenesulfonamide
CID 63625036
4-cyano-N-[(3R)-pyrrolidin-3-yl]benzenesulfonamide
CID 79685701
6-cyano-N-(4-methylcyclohexyl)pyridine-3-sulfonamide
CID 103653105
4-cyano-N-(3-methylcyclobutyl)benzenesulfonamide
CID 115672192
N-(1-methylpiperidin-4-yl)-4-nitrobenzenesulfonamide
CID 22772515
4-cyano-N-(1,2-diethylpyrazolidin-4-yl)benzenesulfonamide
CID 6734825
N-[4-(methylamino)cyclohexyl]benzenesulfonamide
CID 43653533
4-cyano-N-cyclopent-3-en-1-ylbenzenesulfonamide
CID 113256895
4-cyano-N-[(3R)-piperidin-3-yl]benzenesulfonamide
CID 104645700

Frequently Asked Questions

What is the IUPAC name of 4-(5-cyano-1-methylpyrrol-2-yl)-N-cyclopropylbenzenesulfonamide?
The IUPAC name of 4-(5-cyano-1-methylpyrrol-2-yl)-N-cyclopropylbenzenesulfonamide (CID 24896574) is 4-(5-cyano-1-methylpyrrol-2-yl)-N-cyclopropylbenzenesulfonamide.
What is the SMILES notation for 4-(5-cyano-1-methylpyrrol-2-yl)-N-cyclopropylbenzenesulfonamide?
The canonical SMILES for 4-(5-cyano-1-methylpyrrol-2-yl)-N-cyclopropylbenzenesulfonamide is Cn1c(C#N)ccc1-c1ccc(S(=O)(=O)NC2CC2)cc1.
What is the InChIKey of 4-(5-cyano-1-methylpyrrol-2-yl)-N-cyclopropylbenzenesulfonamide?
The InChIKey is UBCRKQYVRVRZFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O2S/c1-18-13(10-16)6-9-15(18)11-2-7-14(8-3-11)21(19,20)17-12-4-5-12/h2-3,6-9,12,17H,4-5H2,1H3.
What are the key properties of 4-(5-cyano-1-methylpyrrol-2-yl)-N-cyclopropylbenzenesulfonamide?
4-(5-cyano-1-methylpyrrol-2-yl)-N-cyclopropylbenzenesulfonamide has a molecular weight of 301.37 g/mol, XLogP of 2.00, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-cyano-1-methylpyrrol-2-yl)-N-cyclopropylbenzenesulfonamide is sourced from PubChem (CID 24896574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).