3-(3-chloro-4-methoxyphenyl)-5-methyl-2-(4-methylsulfonylphenyl)-1H-pyrrole

C19H18ClNO3S — CID 15462485

IUPAC3-(3-chloro-4-methoxyphenyl)-5-methyl-2-(4-methylsulfonylphenyl)-1H-pyrrole
SMILESCOc1ccc(-c2cc(C)[nH]c2-c2ccc(S(C)(=O)=O)cc2)cc1Cl
InChIInChI=1S/C19H18ClNO3S/c1-12-10-16(14-6-9-18(24-2)17(20)11-14)19(21-12)13-4-7-15(8-5-13)25(3,22)23/h4-11,21H,1-3H3
InChIKeyJESSEDWKLNYECM-UHFFFAOYSA-N
MW375.88 g/mol
LogP4.72
Rot. Bonds4

About 3-(3-chloro-4-methoxyphenyl)-5-methyl-2-(4-methylsulfonylphenyl)-1H-pyrrole

3-(3-chloro-4-methoxyphenyl)-5-methyl-2-(4-methylsulfonylphenyl)-1H-pyrrole (PubChem CID 15462485) has the molecular formula C19H18ClNO3S and a molecular weight of 375.88 g/mol. Its IUPAC name is 3-(3-chloro-4-methoxyphenyl)-5-methyl-2-(4-methylsulfonylphenyl)-1H-pyrrole.

Molecular Properties

Compound Name3-(3-chloro-4-methoxyphenyl)-5-methyl-2-(4-methylsulfonylphenyl)-1H-pyrrole
PubChem CID15462485
Molecular FormulaC19H18ClNO3S
Molecular Weight375.88 g/mol
Exact Mass375.07
IUPAC Name3-(3-chloro-4-methoxyphenyl)-5-methyl-2-(4-methylsulfonylphenyl)-1H-pyrrole
SMILESCOc1ccc(-c2cc(C)[nH]c2-c2ccc(S(C)(=O)=O)cc2)cc1Cl
InChIInChI=1S/C19H18ClNO3S/c1-12-10-16(14-6-9-18(24-2)17(20)11-14)19(21-12)13-4-7-15(8-5-13)25(3,22)23/h4-11,21H,1-3H3
InChIKeyJESSEDWKLNYECM-UHFFFAOYSA-N
XLogP4.72
TPSA59.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.88
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

dimethyl 3-(3-chloro-4-methoxyphenyl)-4-(4-methylsulfonylphenyl)cyclopent-3-ene-1,1-dicarboxylate
CID 11798881
1,3-dichloro-2-methoxy-5-[2-(4-methylsulfonylphenyl)phenyl]benzene
CID 23451274
5-bromo-3-(4-fluorophenyl)-2-(4-methylsulfonylphenyl)-1H-pyrrole
CID 10363199
4-[3-(3-chloro-4-methoxyphenyl)-5-methyl-1,2-oxazol-4-yl]benzenesulfonamide
CID 19608718
4-(3,4-dichlorophenyl)-5-(4-methylsulfonylphenyl)-2-(trifluoromethyl)-1H-imidazole
CID 18463562
2-(3-chloro-4-methoxyphenyl)-4-hydroxy-5-iodo-1H-pyrimidin-6-one
CID 66312316
1-(3-chloro-4-methoxyphenyl)sulfonylethanone
CID 117037093
2-methoxy-4-(4-methylsulfonylphenyl)phenol
CID 53221054
2-(3,5-dichloro-4-methoxyphenyl)-4-(4-methylsulfonylphenyl)-5-(trifluoromethyl)-1H-imidazole
CID 54393459
3-(3-chloro-4-methoxyphenyl)-1H-pyrrole-2-carboxylic acid
CID 79324952
1-[4-(3-chloro-4-methoxyphenyl)-3-methylphenyl]ethanone
CID 24996134
N-(3-chloro-4-methoxyphenyl)-N,4-dimethylbenzenesulfonamide
CID 99629001

Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-4-methoxyphenyl)-5-methyl-2-(4-methylsulfonylphenyl)-1H-pyrrole?
The IUPAC name of 3-(3-chloro-4-methoxyphenyl)-5-methyl-2-(4-methylsulfonylphenyl)-1H-pyrrole (CID 15462485) is 3-(3-chloro-4-methoxyphenyl)-5-methyl-2-(4-methylsulfonylphenyl)-1H-pyrrole.
What is the SMILES notation for 3-(3-chloro-4-methoxyphenyl)-5-methyl-2-(4-methylsulfonylphenyl)-1H-pyrrole?
The canonical SMILES for 3-(3-chloro-4-methoxyphenyl)-5-methyl-2-(4-methylsulfonylphenyl)-1H-pyrrole is COc1ccc(-c2cc(C)[nH]c2-c2ccc(S(C)(=O)=O)cc2)cc1Cl.
What is the InChIKey of 3-(3-chloro-4-methoxyphenyl)-5-methyl-2-(4-methylsulfonylphenyl)-1H-pyrrole?
The InChIKey is JESSEDWKLNYECM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClNO3S/c1-12-10-16(14-6-9-18(24-2)17(20)11-14)19(21-12)13-4-7-15(8-5-13)25(3,22)23/h4-11,21H,1-3H3.
What are the key properties of 3-(3-chloro-4-methoxyphenyl)-5-methyl-2-(4-methylsulfonylphenyl)-1H-pyrrole?
3-(3-chloro-4-methoxyphenyl)-5-methyl-2-(4-methylsulfonylphenyl)-1H-pyrrole has a molecular weight of 375.88 g/mol, XLogP of 4.72, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-4-methoxyphenyl)-5-methyl-2-(4-methylsulfonylphenyl)-1H-pyrrole is sourced from PubChem (CID 15462485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).