N-(4-benzoyl-2-phenyl-5-propyl-1H-pyrrol-3-yl)-4-methylbenzenesulfonamide

C27H26N2O3S — CID 122367435

IUPACN-(4-benzoyl-2-phenyl-5-propyl-1H-pyrrol-3-yl)-4-methylbenzenesulfonamide
SMILESCCCc1[nH]c(-c2ccccc2)c(NS(=O)(=O)c2ccc(C)cc2)c1C(=O)c1ccccc1
InChIInChI=1S/C27H26N2O3S/c1-3-10-23-24(27(30)21-13-8-5-9-14-21)26(25(28-23)20-11-6-4-7-12-20)29-33(31,32)22-17-15-19(2)16-18-22/h4-9,11-18,28-29H,3,10H2,1-2H3
InChIKeyRHXHYDOCIMFHME-UHFFFAOYSA-N
MW458.58 g/mol
LogP5.97
Rot. Bonds8

About N-(4-benzoyl-2-phenyl-5-propyl-1H-pyrrol-3-yl)-4-methylbenzenesulfonamide

N-(4-benzoyl-2-phenyl-5-propyl-1H-pyrrol-3-yl)-4-methylbenzenesulfonamide (PubChem CID 122367435) has the molecular formula C27H26N2O3S and a molecular weight of 458.58 g/mol. Its IUPAC name is N-(4-benzoyl-2-phenyl-5-propyl-1H-pyrrol-3-yl)-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(4-benzoyl-2-phenyl-5-propyl-1H-pyrrol-3-yl)-4-methylbenzenesulfonamide
PubChem CID122367435
Molecular FormulaC27H26N2O3S
Molecular Weight458.58 g/mol
Exact Mass458.17
IUPAC NameN-(4-benzoyl-2-phenyl-5-propyl-1H-pyrrol-3-yl)-4-methylbenzenesulfonamide
SMILESCCCc1[nH]c(-c2ccccc2)c(NS(=O)(=O)c2ccc(C)cc2)c1C(=O)c1ccccc1
InChIInChI=1S/C27H26N2O3S/c1-3-10-23-24(27(30)21-13-8-5-9-14-21)26(25(28-23)20-11-6-4-7-12-20)29-33(31,32)22-17-15-19(2)16-18-22/h4-9,11-18,28-29H,3,10H2,1-2H3
InChIKeyRHXHYDOCIMFHME-UHFFFAOYSA-N
XLogP5.97
TPSA79.03 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.58
LogP ≤ 55.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-benzoyl-6-fluorophenyl)-4-methylbenzenesulfonamide
CID 169372767
N-(4-methylphenyl)sulfonyl-2-phenyl-1H-indole-3-carboxamide
CID 162411750
N-(5-benzoyl-3-propyltriazol-4-yl)-4-methylbenzenesulfonamide
CID 135052055
N-(2-benzoyl-5-chlorophenyl)-4-methylbenzenesulfonamide
CID 19133397
3-[4-[(4-methylphenyl)sulfonylamino]naphthalen-1-yl]benzoic acid
CID 118952599
lithium;hydride;N-(4-methylphenyl)sulfonylbenzamide
CID 173095463
4-[2-[4-[(4-methylphenyl)sulfonylamino]phenyl]ethyl]benzoic acid
CID 68689392
phenacyl 4-[(4-methylphenyl)sulfamoyl]benzoate
CID 46675318
N-(2,6-diethylphenyl)-2-[(4-methylphenyl)sulfonylamino]benzamide
CID 3521473
N-(benzenesulfonyl)-N'-(4-methylphenyl)sulfonylpropanediamide
CID 135051885
4-[(4-methylphenyl)sulfamoyl]-N,N-bis(2-phenylethyl)benzamide
CID 2343621
4-butanoyl-N-phenylbenzenesulfonamide
CID 82164605

Frequently Asked Questions

What is the IUPAC name of N-(4-benzoyl-2-phenyl-5-propyl-1H-pyrrol-3-yl)-4-methylbenzenesulfonamide?
The IUPAC name of N-(4-benzoyl-2-phenyl-5-propyl-1H-pyrrol-3-yl)-4-methylbenzenesulfonamide (CID 122367435) is N-(4-benzoyl-2-phenyl-5-propyl-1H-pyrrol-3-yl)-4-methylbenzenesulfonamide.
What is the SMILES notation for N-(4-benzoyl-2-phenyl-5-propyl-1H-pyrrol-3-yl)-4-methylbenzenesulfonamide?
The canonical SMILES for N-(4-benzoyl-2-phenyl-5-propyl-1H-pyrrol-3-yl)-4-methylbenzenesulfonamide is CCCc1[nH]c(-c2ccccc2)c(NS(=O)(=O)c2ccc(C)cc2)c1C(=O)c1ccccc1.
What is the InChIKey of N-(4-benzoyl-2-phenyl-5-propyl-1H-pyrrol-3-yl)-4-methylbenzenesulfonamide?
The InChIKey is RHXHYDOCIMFHME-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N2O3S/c1-3-10-23-24(27(30)21-13-8-5-9-14-21)26(25(28-23)20-11-6-4-7-12-20)29-33(31,32)22-17-15-19(2)16-18-22/h4-9,11-18,28-29H,3,10H2,1-2H3.
What are the key properties of N-(4-benzoyl-2-phenyl-5-propyl-1H-pyrrol-3-yl)-4-methylbenzenesulfonamide?
N-(4-benzoyl-2-phenyl-5-propyl-1H-pyrrol-3-yl)-4-methylbenzenesulfonamide has a molecular weight of 458.58 g/mol, XLogP of 5.97, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-benzoyl-2-phenyl-5-propyl-1H-pyrrol-3-yl)-4-methylbenzenesulfonamide is sourced from PubChem (CID 122367435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).