1-(benzenesulfonyl)-N-(4-ethylphenyl)pyrrole-3-sulfonamide

C18H18N2O4S2 — CID 17247601

IUPAC1-(benzenesulfonyl)-N-(4-ethylphenyl)pyrrole-3-sulfonamide
SMILESCCc1ccc(NS(=O)(=O)c2ccn(S(=O)(=O)c3ccccc3)c2)cc1
InChIInChI=1S/C18H18N2O4S2/c1-2-15-8-10-16(11-9-15)19-25(21,22)18-12-13-20(14-18)26(23,24)17-6-4-3-5-7-17/h3-14,19H,2H2,1H3
InChIKeyIOMRTDLBNYMLPF-UHFFFAOYSA-N
MW390.49 g/mol
LogP3.09
Rot. Bonds6

About 1-(benzenesulfonyl)-N-(4-ethylphenyl)pyrrole-3-sulfonamide

1-(benzenesulfonyl)-N-(4-ethylphenyl)pyrrole-3-sulfonamide (PubChem CID 17247601) has the molecular formula C18H18N2O4S2 and a molecular weight of 390.49 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-N-(4-ethylphenyl)pyrrole-3-sulfonamide.

Molecular Properties

Compound Name1-(benzenesulfonyl)-N-(4-ethylphenyl)pyrrole-3-sulfonamide
PubChem CID17247601
Molecular FormulaC18H18N2O4S2
Molecular Weight390.49 g/mol
Exact Mass390.07
IUPAC Name1-(benzenesulfonyl)-N-(4-ethylphenyl)pyrrole-3-sulfonamide
SMILESCCc1ccc(NS(=O)(=O)c2ccn(S(=O)(=O)c3ccccc3)c2)cc1
InChIInChI=1S/C18H18N2O4S2/c1-2-15-8-10-16(11-9-15)19-25(21,22)18-12-13-20(14-18)26(23,24)17-6-4-3-5-7-17/h3-14,19H,2H2,1H3
InChIKeyIOMRTDLBNYMLPF-UHFFFAOYSA-N
XLogP3.09
TPSA85.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.49
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(benzenesulfonyl)-N-(3,4-dichlorophenyl)pyrrole-3-sulfonamide
CID 17247618
1-(benzenesulfonyl)-N-(3-bromophenyl)pyrrole-3-sulfonamide
CID 17247609
N-(4-ethylphenyl)-3-[3-[(4-ethylphenyl)sulfamoyl]phenyl]sulfonylbenzenesulfonamide
CID 160503977
3-N-(4-ethylphenyl)benzene-1,3-disulfonamide
CID 31065784
4-ethyl-N-(4-iodophenyl)benzenesulfonamide
CID 1305687
N-[4-[(4-ethylphenyl)sulfamoyl]phenyl]acetamide
CID 798958
N-(4-ethylphenyl)-4-propylbenzenesulfonamide
CID 22773839
N-(4-ethylphenyl)ethanesulfonamide
CID 896511
N-(4-ethylphenyl)-3-(4-fluorophenyl)benzenesulfonamide
CID 71211560
4-ethyl-N-[4-[4-[(4-ethylphenyl)sulfonylamino]phenoxy]phenyl]benzenesulfonamide
CID 25047818
N-(4-ethylphenyl)-2-methylsulfonylbenzenesulfonamide
CID 86920060
methyl 4-[(4-ethylphenyl)sulfamoyl]benzoate
CID 26487109

Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-N-(4-ethylphenyl)pyrrole-3-sulfonamide?
The IUPAC name of 1-(benzenesulfonyl)-N-(4-ethylphenyl)pyrrole-3-sulfonamide (CID 17247601) is 1-(benzenesulfonyl)-N-(4-ethylphenyl)pyrrole-3-sulfonamide.
What is the SMILES notation for 1-(benzenesulfonyl)-N-(4-ethylphenyl)pyrrole-3-sulfonamide?
The canonical SMILES for 1-(benzenesulfonyl)-N-(4-ethylphenyl)pyrrole-3-sulfonamide is CCc1ccc(NS(=O)(=O)c2ccn(S(=O)(=O)c3ccccc3)c2)cc1.
What is the InChIKey of 1-(benzenesulfonyl)-N-(4-ethylphenyl)pyrrole-3-sulfonamide?
The InChIKey is IOMRTDLBNYMLPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O4S2/c1-2-15-8-10-16(11-9-15)19-25(21,22)18-12-13-20(14-18)26(23,24)17-6-4-3-5-7-17/h3-14,19H,2H2,1H3.
What are the key properties of 1-(benzenesulfonyl)-N-(4-ethylphenyl)pyrrole-3-sulfonamide?
1-(benzenesulfonyl)-N-(4-ethylphenyl)pyrrole-3-sulfonamide has a molecular weight of 390.49 g/mol, XLogP of 3.09, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-N-(4-ethylphenyl)pyrrole-3-sulfonamide is sourced from PubChem (CID 17247601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).