1-[1-(benzenesulfonyl)pyrrol-3-yl]-2-(3-chlorophenyl)ethanone

C18H14ClNO3S — CID 66973355

IUPAC1-[1-(benzenesulfonyl)pyrrol-3-yl]-2-(3-chlorophenyl)ethanone
SMILESO=C(Cc1cccc(Cl)c1)c1ccn(S(=O)(=O)c2ccccc2)c1
InChIInChI=1S/C18H14ClNO3S/c19-16-6-4-5-14(11-16)12-18(21)15-9-10-20(13-15)24(22,23)17-7-2-1-3-8-17/h1-11,13H,12H2
InChIKeyCXKMRIZWKOOCDK-UHFFFAOYSA-N
MW359.83 g/mol
LogP3.80
Rot. Bonds5

About 1-[1-(benzenesulfonyl)pyrrol-3-yl]-2-(3-chlorophenyl)ethanone

1-[1-(benzenesulfonyl)pyrrol-3-yl]-2-(3-chlorophenyl)ethanone (PubChem CID 66973355) has the molecular formula C18H14ClNO3S and a molecular weight of 359.83 g/mol. Its IUPAC name is 1-[1-(benzenesulfonyl)pyrrol-3-yl]-2-(3-chlorophenyl)ethanone.

Molecular Properties

Compound Name1-[1-(benzenesulfonyl)pyrrol-3-yl]-2-(3-chlorophenyl)ethanone
PubChem CID66973355
Molecular FormulaC18H14ClNO3S
Molecular Weight359.83 g/mol
Exact Mass359.04
IUPAC Name1-[1-(benzenesulfonyl)pyrrol-3-yl]-2-(3-chlorophenyl)ethanone
SMILESO=C(Cc1cccc(Cl)c1)c1ccn(S(=O)(=O)c2ccccc2)c1
InChIInChI=1S/C18H14ClNO3S/c19-16-6-4-5-14(11-16)12-18(21)15-9-10-20(13-15)24(22,23)17-7-2-1-3-8-17/h1-11,13H,12H2
InChIKeyCXKMRIZWKOOCDK-UHFFFAOYSA-N
XLogP3.80
TPSA56.14 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.83
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[1-(benzenesulfonyl)pyrrol-3-yl]-4-oxobutanoic acid
CID 2764521
5-[1-(benzenesulfonyl)pyrrol-3-yl]-5-oxopentanoic acid
CID 122705238
2-(3-chlorophenyl)-1-(3-methylsulfonylphenyl)ethanone
CID 114962432
1-[1-(benzenesulfonyl)pyrrol-3-yl]hexadecan-1-one
CID 13451139
1-[1-(benzenesulfonyl)pyrrol-3-yl]-3-(3,5-ditert-butyl-4-hydroxyphenyl)propan-1-one
CID 23046512
N-[4-[2-(3-chlorophenyl)acetyl]phenyl]methanesulfonamide
CID 62505094
2-(3-chlorophenyl)-1-(furan-3-yl)ethanone
CID 62505293
1-(3-chloro-4-methylphenyl)-2-(3-chlorophenyl)ethanone
CID 63528907
4-[1-[(3-chlorophenyl)methyl]pyrrol-3-yl]-2,4-dioxobutanoic acid
CID 18363447
1-(benzenesulfonyl)-4-[(3-chlorophenyl)methyl]piperazine
CID 1364863
2-[2-[[[1-(benzenesulfonyl)pyrrol-3-yl]-methylamino]methyl]-4-chlorophenoxy]acetic acid
CID 174644324
2-(3-chlorophenyl)-1-(2-methylphenyl)ethanone
CID 60799246

Frequently Asked Questions

What is the IUPAC name of 1-[1-(benzenesulfonyl)pyrrol-3-yl]-2-(3-chlorophenyl)ethanone?
The IUPAC name of 1-[1-(benzenesulfonyl)pyrrol-3-yl]-2-(3-chlorophenyl)ethanone (CID 66973355) is 1-[1-(benzenesulfonyl)pyrrol-3-yl]-2-(3-chlorophenyl)ethanone.
What is the SMILES notation for 1-[1-(benzenesulfonyl)pyrrol-3-yl]-2-(3-chlorophenyl)ethanone?
The canonical SMILES for 1-[1-(benzenesulfonyl)pyrrol-3-yl]-2-(3-chlorophenyl)ethanone is O=C(Cc1cccc(Cl)c1)c1ccn(S(=O)(=O)c2ccccc2)c1.
What is the InChIKey of 1-[1-(benzenesulfonyl)pyrrol-3-yl]-2-(3-chlorophenyl)ethanone?
The InChIKey is CXKMRIZWKOOCDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClNO3S/c19-16-6-4-5-14(11-16)12-18(21)15-9-10-20(13-15)24(22,23)17-7-2-1-3-8-17/h1-11,13H,12H2.
What are the key properties of 1-[1-(benzenesulfonyl)pyrrol-3-yl]-2-(3-chlorophenyl)ethanone?
1-[1-(benzenesulfonyl)pyrrol-3-yl]-2-(3-chlorophenyl)ethanone has a molecular weight of 359.83 g/mol, XLogP of 3.80, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(benzenesulfonyl)pyrrol-3-yl]-2-(3-chlorophenyl)ethanone is sourced from PubChem (CID 66973355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).