N-[3-fluoro-4-[1-[5-(4-methoxy-2-methylbenzoyl)-1H-pyrrol-2-yl]ethyl]phenyl]methanesulfonamide

C22H23FN2O4S — CID 23285855

IUPACN-[3-fluoro-4-[1-[5-(4-methoxy-2-methylbenzoyl)-1H-pyrrol-2-yl]ethyl]phenyl]methanesulfonamide
SMILESCOc1ccc(C(=O)c2ccc(C(C)c3ccc(NS(C)(=O)=O)cc3F)[nH]2)c(C)c1
InChIInChI=1S/C22H23FN2O4S/c1-13-11-16(29-3)6-8-17(13)22(26)21-10-9-20(24-21)14(2)18-7-5-15(12-19(18)23)25-30(4,27)28/h5-12,14,24-25H,1-4H3
InChIKeyWZWATEMYWLBLQB-UHFFFAOYSA-N
MW430.50 g/mol
LogP4.23
Rot. Bonds7

About N-[3-fluoro-4-[1-[5-(4-methoxy-2-methylbenzoyl)-1H-pyrrol-2-yl]ethyl]phenyl]methanesulfonamide

N-[3-fluoro-4-[1-[5-(4-methoxy-2-methylbenzoyl)-1H-pyrrol-2-yl]ethyl]phenyl]methanesulfonamide (PubChem CID 23285855) has the molecular formula C22H23FN2O4S and a molecular weight of 430.50 g/mol. Its IUPAC name is N-[3-fluoro-4-[1-[5-(4-methoxy-2-methylbenzoyl)-1H-pyrrol-2-yl]ethyl]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[3-fluoro-4-[1-[5-(4-methoxy-2-methylbenzoyl)-1H-pyrrol-2-yl]ethyl]phenyl]methanesulfonamide
PubChem CID23285855
Molecular FormulaC22H23FN2O4S
Molecular Weight430.50 g/mol
Exact Mass430.14
IUPAC NameN-[3-fluoro-4-[1-[5-(4-methoxy-2-methylbenzoyl)-1H-pyrrol-2-yl]ethyl]phenyl]methanesulfonamide
SMILESCOc1ccc(C(=O)c2ccc(C(C)c3ccc(NS(C)(=O)=O)cc3F)[nH]2)c(C)c1
InChIInChI=1S/C22H23FN2O4S/c1-13-11-16(29-3)6-8-17(13)22(26)21-10-9-20(24-21)14(2)18-7-5-15(12-19(18)23)25-30(4,27)28/h5-12,14,24-25H,1-4H3
InChIKeyWZWATEMYWLBLQB-UHFFFAOYSA-N
XLogP4.23
TPSA88.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.50
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[3-fluoro-4-[1-[5-(4-methoxy-2-methylbenzoyl)-1H-pyrrol-2-yl]ethyl]phenyl]methanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-[1-[5-(4-bromobenzoyl)-1H-pyrrol-2-yl]ethyl]-3-fluorophenyl]methanesulfonamide
CID 23285798
2-(4-ethoxybenzoyl)-5-[1-[2-fluoro-4-(sulfamoylamino)phenyl]ethyl]-1H-pyrrole
CID 23286042
N-[4-[1-(5-benzoyl-1H-pyrrol-2-yl)ethyl]-3-chlorophenyl]methanesulfonamide
CID 23285808
N-[3-chloro-4-[1-[5-(4-chlorobenzoyl)-4-methyl-1H-pyrrol-2-yl]ethyl]phenyl]methanesulfonamide
CID 23286031
N-[3-fluoro-4-[1-[4-methyl-5-[4-(trifluoromethyl)benzoyl]-1H-pyrrol-2-yl]ethyl]phenyl]ethanesulfonamide
CID 23286016
N-[3-chloro-4-[1-[4-methyl-5-(4-methylbenzoyl)-1H-pyrrol-2-yl]ethyl]phenyl]methanesulfonamide
CID 23286002
N-[4-[[5-(2,4-dimethoxybenzoyl)-1-methylpyrrol-2-yl]methyl]-3-fluorophenyl]methanesulfonamide
CID 139878124
2-fluoro-4-[(5-methoxy-2-methylphenyl)sulfonylamino]benzoic acid
CID 166229174
N-[4-(4-bromo-2-methylbenzoyl)phenyl]methanesulfonamide
CID 43629655
2-[[3-fluoro-4-[1-[4-methyl-5-(4-methylbenzenecarbothioyl)-1H-pyrrol-2-yl]ethyl]phenyl]sulfamoyl]ethyl acetate
CID 23285865
N-(4-methoxy-2-methylphenyl)methanesulfonamide
CID 15851883
(2-bromo-3,4-difluorophenyl)-(4-methoxy-2-methylphenyl)methanone
CID 107537932

Frequently Asked Questions

What is the IUPAC name of N-[3-fluoro-4-[1-[5-(4-methoxy-2-methylbenzoyl)-1H-pyrrol-2-yl]ethyl]phenyl]methanesulfonamide?
The IUPAC name of N-[3-fluoro-4-[1-[5-(4-methoxy-2-methylbenzoyl)-1H-pyrrol-2-yl]ethyl]phenyl]methanesulfonamide (CID 23285855) is N-[3-fluoro-4-[1-[5-(4-methoxy-2-methylbenzoyl)-1H-pyrrol-2-yl]ethyl]phenyl]methanesulfonamide.
What is the SMILES notation for N-[3-fluoro-4-[1-[5-(4-methoxy-2-methylbenzoyl)-1H-pyrrol-2-yl]ethyl]phenyl]methanesulfonamide?
The canonical SMILES for N-[3-fluoro-4-[1-[5-(4-methoxy-2-methylbenzoyl)-1H-pyrrol-2-yl]ethyl]phenyl]methanesulfonamide is COc1ccc(C(=O)c2ccc(C(C)c3ccc(NS(C)(=O)=O)cc3F)[nH]2)c(C)c1.
What is the InChIKey of N-[3-fluoro-4-[1-[5-(4-methoxy-2-methylbenzoyl)-1H-pyrrol-2-yl]ethyl]phenyl]methanesulfonamide?
The InChIKey is WZWATEMYWLBLQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN2O4S/c1-13-11-16(29-3)6-8-17(13)22(26)21-10-9-20(24-21)14(2)18-7-5-15(12-19(18)23)25-30(4,27)28/h5-12,14,24-25H,1-4H3.
What are the key properties of N-[3-fluoro-4-[1-[5-(4-methoxy-2-methylbenzoyl)-1H-pyrrol-2-yl]ethyl]phenyl]methanesulfonamide?
N-[3-fluoro-4-[1-[5-(4-methoxy-2-methylbenzoyl)-1H-pyrrol-2-yl]ethyl]phenyl]methanesulfonamide has a molecular weight of 430.50 g/mol, XLogP of 4.23, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-fluoro-4-[1-[5-(4-methoxy-2-methylbenzoyl)-1H-pyrrol-2-yl]ethyl]phenyl]methanesulfonamide is sourced from PubChem (CID 23285855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).