2-[2-(3,5-dichloro-4-methoxyphenyl)pyrrol-1-yl]benzenesulfonamide

C17H14Cl2N2O3S — CID 67603683

IUPAC2-[2-(3,5-dichloro-4-methoxyphenyl)pyrrol-1-yl]benzenesulfonamide
SMILESCOc1c(Cl)cc(-c2cccn2-c2ccccc2S(N)(=O)=O)cc1Cl
InChIInChI=1S/C17H14Cl2N2O3S/c1-24-17-12(18)9-11(10-13(17)19)14-6-4-8-21(14)15-5-2-3-7-16(15)25(20,22)23/h2-10H,1H3,(H2,20,22,23)
InChIKeyVHBMTLGJHWTIJS-UHFFFAOYSA-N
MW397.28 g/mol
LogP4.11
Rot. Bonds4

About 2-[2-(3,5-dichloro-4-methoxyphenyl)pyrrol-1-yl]benzenesulfonamide

2-[2-(3,5-dichloro-4-methoxyphenyl)pyrrol-1-yl]benzenesulfonamide (PubChem CID 67603683) has the molecular formula C17H14Cl2N2O3S and a molecular weight of 397.28 g/mol. Its IUPAC name is 2-[2-(3,5-dichloro-4-methoxyphenyl)pyrrol-1-yl]benzenesulfonamide.

Molecular Properties

Compound Name2-[2-(3,5-dichloro-4-methoxyphenyl)pyrrol-1-yl]benzenesulfonamide
PubChem CID67603683
Molecular FormulaC17H14Cl2N2O3S
Molecular Weight397.28 g/mol
Exact Mass396.01
IUPAC Name2-[2-(3,5-dichloro-4-methoxyphenyl)pyrrol-1-yl]benzenesulfonamide
SMILESCOc1c(Cl)cc(-c2cccn2-c2ccccc2S(N)(=O)=O)cc1Cl
InChIInChI=1S/C17H14Cl2N2O3S/c1-24-17-12(18)9-11(10-13(17)19)14-6-4-8-21(14)15-5-2-3-7-16(15)25(20,22)23/h2-10H,1H3,(H2,20,22,23)
InChIKeyVHBMTLGJHWTIJS-UHFFFAOYSA-N
XLogP4.11
TPSA74.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.28
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(3,5-dichloro-4-methoxyphenyl)pyrrol-1-yl]benzenesulfonamide?
The IUPAC name of 2-[2-(3,5-dichloro-4-methoxyphenyl)pyrrol-1-yl]benzenesulfonamide (CID 67603683) is 2-[2-(3,5-dichloro-4-methoxyphenyl)pyrrol-1-yl]benzenesulfonamide.
What is the SMILES notation for 2-[2-(3,5-dichloro-4-methoxyphenyl)pyrrol-1-yl]benzenesulfonamide?
The canonical SMILES for 2-[2-(3,5-dichloro-4-methoxyphenyl)pyrrol-1-yl]benzenesulfonamide is COc1c(Cl)cc(-c2cccn2-c2ccccc2S(N)(=O)=O)cc1Cl.
What is the InChIKey of 2-[2-(3,5-dichloro-4-methoxyphenyl)pyrrol-1-yl]benzenesulfonamide?
The InChIKey is VHBMTLGJHWTIJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14Cl2N2O3S/c1-24-17-12(18)9-11(10-13(17)19)14-6-4-8-21(14)15-5-2-3-7-16(15)25(20,22)23/h2-10H,1H3,(H2,20,22,23).
What are the key properties of 2-[2-(3,5-dichloro-4-methoxyphenyl)pyrrol-1-yl]benzenesulfonamide?
2-[2-(3,5-dichloro-4-methoxyphenyl)pyrrol-1-yl]benzenesulfonamide has a molecular weight of 397.28 g/mol, XLogP of 4.11, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3,5-dichloro-4-methoxyphenyl)pyrrol-1-yl]benzenesulfonamide is sourced from PubChem (CID 67603683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).