N-[4-[1-(5-benzoyl-1H-pyrrol-2-yl)ethyl]-3-chlorophenyl]methanesulfonamide

C20H19ClN2O3S — CID 23285808

IUPACN-[4-[1-(5-benzoyl-1H-pyrrol-2-yl)ethyl]-3-chlorophenyl]methanesulfonamide
SMILESCC(c1ccc(C(=O)c2ccccc2)[nH]1)c1ccc(NS(C)(=O)=O)cc1Cl
InChIInChI=1S/C20H19ClN2O3S/c1-13(16-9-8-15(12-17(16)21)23-27(2,25)26)18-10-11-19(22-18)20(24)14-6-4-3-5-7-14/h3-13,22-23H,1-2H3
InChIKeyJHVAKISBVHYOKU-UHFFFAOYSA-N
MW402.90 g/mol
LogP4.42
Rot. Bonds6

About N-[4-[1-(5-benzoyl-1H-pyrrol-2-yl)ethyl]-3-chlorophenyl]methanesulfonamide

N-[4-[1-(5-benzoyl-1H-pyrrol-2-yl)ethyl]-3-chlorophenyl]methanesulfonamide (PubChem CID 23285808) has the molecular formula C20H19ClN2O3S and a molecular weight of 402.90 g/mol. Its IUPAC name is N-[4-[1-(5-benzoyl-1H-pyrrol-2-yl)ethyl]-3-chlorophenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[4-[1-(5-benzoyl-1H-pyrrol-2-yl)ethyl]-3-chlorophenyl]methanesulfonamide
PubChem CID23285808
Molecular FormulaC20H19ClN2O3S
Molecular Weight402.90 g/mol
Exact Mass402.08
IUPAC NameN-[4-[1-(5-benzoyl-1H-pyrrol-2-yl)ethyl]-3-chlorophenyl]methanesulfonamide
SMILESCC(c1ccc(C(=O)c2ccccc2)[nH]1)c1ccc(NS(C)(=O)=O)cc1Cl
InChIInChI=1S/C20H19ClN2O3S/c1-13(16-9-8-15(12-17(16)21)23-27(2,25)26)18-10-11-19(22-18)20(24)14-6-4-3-5-7-14/h3-13,22-23H,1-2H3
InChIKeyJHVAKISBVHYOKU-UHFFFAOYSA-N
XLogP4.42
TPSA79.03 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.90
LogP ≤ 54.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-chloro-4-[1-[4-methyl-5-(4-methylbenzoyl)-1H-pyrrol-2-yl]ethyl]phenyl]methanesulfonamide
CID 23286002
N-[4-[1-[5-(4-bromobenzoyl)-1H-pyrrol-2-yl]ethyl]-3-fluorophenyl]methanesulfonamide
CID 23285798
N-[3-chloro-4-[1-[5-(4-chlorobenzoyl)-4-methyl-1H-pyrrol-2-yl]ethyl]phenyl]methanesulfonamide
CID 23286031
2-benzoyl-5-[1-[2,3-difluoro-4-(sulfamoylamino)phenyl]ethyl]-1H-pyrrole
CID 70257412
N-[3-fluoro-4-[1-[5-(4-methoxy-2-methylbenzoyl)-1H-pyrrol-2-yl]ethyl]phenyl]methanesulfonamide
CID 23285855
N-[6-[1-(5-benzoyl-4-methyl-1H-pyrrol-2-yl)ethyl]-3-pyridinyl]methanesulfonamide
CID 23285892
2-(4-ethoxybenzoyl)-5-[1-[2-fluoro-4-(sulfamoylamino)phenyl]ethyl]-1H-pyrrole
CID 23286042
N-[4-(2-chlorobenzoyl)phenyl]methanesulfonamide
CID 43339036
N-[3-(4-chlorobenzoyl)phenyl]methanesulfonamide
CID 110427114
2-chloro-5-(methanesulfonamido)-N-(2-phenylpropyl)benzamide
CID 133239711
N-[3-[3-(methanesulfonamido)benzoyl]phenyl]methanesulfonamide
CID 127038503
2-chloro-4-(methanesulfonamido)-N-(3-methyl-1-phenylbutyl)benzamide
CID 43877134

Frequently Asked Questions

What is the IUPAC name of N-[4-[1-(5-benzoyl-1H-pyrrol-2-yl)ethyl]-3-chlorophenyl]methanesulfonamide?
The IUPAC name of N-[4-[1-(5-benzoyl-1H-pyrrol-2-yl)ethyl]-3-chlorophenyl]methanesulfonamide (CID 23285808) is N-[4-[1-(5-benzoyl-1H-pyrrol-2-yl)ethyl]-3-chlorophenyl]methanesulfonamide.
What is the SMILES notation for N-[4-[1-(5-benzoyl-1H-pyrrol-2-yl)ethyl]-3-chlorophenyl]methanesulfonamide?
The canonical SMILES for N-[4-[1-(5-benzoyl-1H-pyrrol-2-yl)ethyl]-3-chlorophenyl]methanesulfonamide is CC(c1ccc(C(=O)c2ccccc2)[nH]1)c1ccc(NS(C)(=O)=O)cc1Cl.
What is the InChIKey of N-[4-[1-(5-benzoyl-1H-pyrrol-2-yl)ethyl]-3-chlorophenyl]methanesulfonamide?
The InChIKey is JHVAKISBVHYOKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN2O3S/c1-13(16-9-8-15(12-17(16)21)23-27(2,25)26)18-10-11-19(22-18)20(24)14-6-4-3-5-7-14/h3-13,22-23H,1-2H3.
What are the key properties of N-[4-[1-(5-benzoyl-1H-pyrrol-2-yl)ethyl]-3-chlorophenyl]methanesulfonamide?
N-[4-[1-(5-benzoyl-1H-pyrrol-2-yl)ethyl]-3-chlorophenyl]methanesulfonamide has a molecular weight of 402.90 g/mol, XLogP of 4.42, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[1-(5-benzoyl-1H-pyrrol-2-yl)ethyl]-3-chlorophenyl]methanesulfonamide is sourced from PubChem (CID 23285808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).