4-[2-(4-chlorophenyl)-4-(4-methoxyphenyl)pyrrol-1-yl]benzenesulfonamide

C23H19ClN2O3S — CID 59981673

IUPAC4-[2-(4-chlorophenyl)-4-(4-methoxyphenyl)pyrrol-1-yl]benzenesulfonamide
SMILESCOc1ccc(-c2cc(-c3ccc(Cl)cc3)n(-c3ccc(S(N)(=O)=O)cc3)c2)cc1
InChIInChI=1S/C23H19ClN2O3S/c1-29-21-10-4-16(5-11-21)18-14-23(17-2-6-19(24)7-3-17)26(15-18)20-8-12-22(13-9-20)30(25,27)28/h2-15H,1H3,(H2,25,27,28)
InChIKeyHIWGAXVHEVQDBO-UHFFFAOYSA-N
MW438.94 g/mol
LogP5.12
Rot. Bonds5

About 4-[2-(4-chlorophenyl)-4-(4-methoxyphenyl)pyrrol-1-yl]benzenesulfonamide

4-[2-(4-chlorophenyl)-4-(4-methoxyphenyl)pyrrol-1-yl]benzenesulfonamide (PubChem CID 59981673) has the molecular formula C23H19ClN2O3S and a molecular weight of 438.94 g/mol. Its IUPAC name is 4-[2-(4-chlorophenyl)-4-(4-methoxyphenyl)pyrrol-1-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[2-(4-chlorophenyl)-4-(4-methoxyphenyl)pyrrol-1-yl]benzenesulfonamide
PubChem CID59981673
Molecular FormulaC23H19ClN2O3S
Molecular Weight438.94 g/mol
Exact Mass438.08
IUPAC Name4-[2-(4-chlorophenyl)-4-(4-methoxyphenyl)pyrrol-1-yl]benzenesulfonamide
SMILESCOc1ccc(-c2cc(-c3ccc(Cl)cc3)n(-c3ccc(S(N)(=O)=O)cc3)c2)cc1
InChIInChI=1S/C23H19ClN2O3S/c1-29-21-10-4-16(5-11-21)18-14-23(17-2-6-19(24)7-3-17)26(15-18)20-8-12-22(13-9-20)30(25,27)28/h2-15H,1H3,(H2,25,27,28)
InChIKeyHIWGAXVHEVQDBO-UHFFFAOYSA-N
XLogP5.12
TPSA74.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.94
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Apricoxib
CID 9820073
7-(4-Chlorophenyl)-1-(4-methoxyphenyl)sulfonylpyrrolo[2,3-c]pyridine
CID 66757616
3-(4-Chloro-1-methyl-2,5-dihydropyrrol-3-yl)-1-(3-chlorophenyl)sulfonyl-5-methoxyindole
CID 56669949
N-(4-methoxybenzyl)-N-[(1-methyl-1H-pyrrol-2-yl)methyl]benzenesulfonamide
CID 2809786
{2-[1-(4-Chloro-benzenesulfonyl)-5-methoxy-1H-indol-3-yl]-ethyl}-dimethyl-amine
CID 9800707
{2-[1-(2-Chloro-benzenesulfonyl)-5-methoxy-1H-indol-3-yl]-ethyl}-dimethyl-amine
CID 9821904
{2-[1-(3-Chloro-benzenesulfonyl)-5-methoxy-1H-indol-3-yl]-ethyl}-dimethyl-amine
CID 9908552
4-[5-(4-Chloro-phenyl)-3-(4-methoxy-phenyl)-pyrazol-1-yl]-benzenesulfonamide
CID 9954883
4-[2-(5-Chloro-2-phenylmethoxyphenyl)-5-methylpyrrol-1-yl]benzenesulfonamide
CID 44432337
3-(4-Chloro-1-methyl-2,5-dihydropyrrol-3-yl)-1-(4-methoxyphenyl)sulfonylindole
CID 56670015
1-{1-[(3-Methoxyphenyl)sulfonyl]-5-phenyl-1H-pyrrol-3-yl}-N-methylmethanamine hydrochloride
CID 57522143
1-{1-[(4-Methoxyphenyl)sulfonyl]-5-phenyl-1H-pyrrol-3-yl}-N-methylmethanamine hydrochloride
CID 66924724

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-chlorophenyl)-4-(4-methoxyphenyl)pyrrol-1-yl]benzenesulfonamide?
The IUPAC name of 4-[2-(4-chlorophenyl)-4-(4-methoxyphenyl)pyrrol-1-yl]benzenesulfonamide (CID 59981673) is 4-[2-(4-chlorophenyl)-4-(4-methoxyphenyl)pyrrol-1-yl]benzenesulfonamide.
What is the SMILES notation for 4-[2-(4-chlorophenyl)-4-(4-methoxyphenyl)pyrrol-1-yl]benzenesulfonamide?
The canonical SMILES for 4-[2-(4-chlorophenyl)-4-(4-methoxyphenyl)pyrrol-1-yl]benzenesulfonamide is COc1ccc(-c2cc(-c3ccc(Cl)cc3)n(-c3ccc(S(N)(=O)=O)cc3)c2)cc1.
What is the InChIKey of 4-[2-(4-chlorophenyl)-4-(4-methoxyphenyl)pyrrol-1-yl]benzenesulfonamide?
The InChIKey is HIWGAXVHEVQDBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19ClN2O3S/c1-29-21-10-4-16(5-11-21)18-14-23(17-2-6-19(24)7-3-17)26(15-18)20-8-12-22(13-9-20)30(25,27)28/h2-15H,1H3,(H2,25,27,28).
What are the key properties of 4-[2-(4-chlorophenyl)-4-(4-methoxyphenyl)pyrrol-1-yl]benzenesulfonamide?
4-[2-(4-chlorophenyl)-4-(4-methoxyphenyl)pyrrol-1-yl]benzenesulfonamide has a molecular weight of 438.94 g/mol, XLogP of 5.12, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-chlorophenyl)-4-(4-methoxyphenyl)pyrrol-1-yl]benzenesulfonamide is sourced from PubChem (CID 59981673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).