4-[3-(4-chlorophenyl)-5-propanoyl-1H-pyrrol-2-yl]benzenesulfonamide

C19H17ClN2O3S — CID 162651128

IUPAC4-[3-(4-chlorophenyl)-5-propanoyl-1H-pyrrol-2-yl]benzenesulfonamide
SMILESCCC(=O)c1cc(-c2ccc(Cl)cc2)c(-c2ccc(S(N)(=O)=O)cc2)[nH]1
InChIInChI=1S/C19H17ClN2O3S/c1-2-18(23)17-11-16(12-3-7-14(20)8-4-12)19(22-17)13-5-9-15(10-6-13)26(21,24)25/h3-11,22H,2H2,1H3,(H2,21,24,25)
InChIKeyXUVCSTUKSTXKMJ-UHFFFAOYSA-N
MW388.88 g/mol
LogP4.24
Rot. Bonds5

About 4-[3-(4-chlorophenyl)-5-propanoyl-1H-pyrrol-2-yl]benzenesulfonamide

4-[3-(4-chlorophenyl)-5-propanoyl-1H-pyrrol-2-yl]benzenesulfonamide (PubChem CID 162651128) has the molecular formula C19H17ClN2O3S and a molecular weight of 388.88 g/mol. Its IUPAC name is 4-[3-(4-chlorophenyl)-5-propanoyl-1H-pyrrol-2-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[3-(4-chlorophenyl)-5-propanoyl-1H-pyrrol-2-yl]benzenesulfonamide
PubChem CID162651128
Molecular FormulaC19H17ClN2O3S
Molecular Weight388.88 g/mol
Exact Mass388.06
IUPAC Name4-[3-(4-chlorophenyl)-5-propanoyl-1H-pyrrol-2-yl]benzenesulfonamide
SMILESCCC(=O)c1cc(-c2ccc(Cl)cc2)c(-c2ccc(S(N)(=O)=O)cc2)[nH]1
InChIInChI=1S/C19H17ClN2O3S/c1-2-18(23)17-11-16(12-3-7-14(20)8-4-12)19(22-17)13-5-9-15(10-6-13)26(21,24)25/h3-11,22H,2H2,1H3,(H2,21,24,25)
InChIKeyXUVCSTUKSTXKMJ-UHFFFAOYSA-N
XLogP4.24
TPSA93.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.88
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

A-867744
CID 23642319
3-[5-(4-Chlorophenyl)-2-methyl-3-propanoylpyrrol-1-yl]benzenesulfonamide
CID 162645668
4-[3-(4-fluorophenyl)-5-propanoyl-1H-pyrrol-2-yl]benzenesulfonamide
CID 162665230
4-(5-(4-Chlorophenyl)-3-(cyclopropanecarbonyl)-2-methyl-1H-pyrrol-1-yl)benzenesulfonamide
CID 24895835
4-[5-(4-Chlorophenyl)-2-(2-cyclopropylacetyl)-1,4-dimethylpyrrol-3-yl]benzenesulfonamide
CID 86291491
4-tert-Butyl-N-[4-chloro-2-(6-methyl-pyridine-2-carbonyl)-phenyl]-benzenesulfonamide
CID 10433490
4-(3-Acetyl-5-(4-chlorophenyl)-2-methyl-1H-pyrrol-1-yl)benzenesulfonamide
CID 44138574
4-[5-(4-Chlorophenyl)-2-methyl-3-(3-methylbutanoyl)pyrrol-1-yl]benzenesulfonamide
CID 44140520
4-[5-(4-chlorophenyl)-2-methyl-3-propanoylpyrrol-1-yl]-N-methylbenzenesulfonamide
CID 162648081
4-[3-(4-Fluorophenyl)-1-methyl-5-propanoylpyrrol-2-yl]benzenesulfonamide
CID 162663577
4-[2-(4-Chlorophenyl)-5-methyl-3-propanoylpyrrol-1-yl]benzenesulfonamide
CID 162673246
4-[5-(4-chlorophenyl)-2-methyl-3-propanoylpyrrol-1-yl]-N,N-dimethylbenzenesulfonamide
CID 162677032

Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-chlorophenyl)-5-propanoyl-1H-pyrrol-2-yl]benzenesulfonamide?
The IUPAC name of 4-[3-(4-chlorophenyl)-5-propanoyl-1H-pyrrol-2-yl]benzenesulfonamide (CID 162651128) is 4-[3-(4-chlorophenyl)-5-propanoyl-1H-pyrrol-2-yl]benzenesulfonamide.
What is the SMILES notation for 4-[3-(4-chlorophenyl)-5-propanoyl-1H-pyrrol-2-yl]benzenesulfonamide?
The canonical SMILES for 4-[3-(4-chlorophenyl)-5-propanoyl-1H-pyrrol-2-yl]benzenesulfonamide is CCC(=O)c1cc(-c2ccc(Cl)cc2)c(-c2ccc(S(N)(=O)=O)cc2)[nH]1.
What is the InChIKey of 4-[3-(4-chlorophenyl)-5-propanoyl-1H-pyrrol-2-yl]benzenesulfonamide?
The InChIKey is XUVCSTUKSTXKMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN2O3S/c1-2-18(23)17-11-16(12-3-7-14(20)8-4-12)19(22-17)13-5-9-15(10-6-13)26(21,24)25/h3-11,22H,2H2,1H3,(H2,21,24,25).
What are the key properties of 4-[3-(4-chlorophenyl)-5-propanoyl-1H-pyrrol-2-yl]benzenesulfonamide?
4-[3-(4-chlorophenyl)-5-propanoyl-1H-pyrrol-2-yl]benzenesulfonamide has a molecular weight of 388.88 g/mol, XLogP of 4.24, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-chlorophenyl)-5-propanoyl-1H-pyrrol-2-yl]benzenesulfonamide is sourced from PubChem (CID 162651128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).