4-(4-bromophenyl)-N-(1-methylcyclopentyl)benzenesulfonamide

C18H20BrNO2S — CID 90946350

IUPAC4-(4-bromophenyl)-N-(1-methylcyclopentyl)benzenesulfonamide
SMILESCC1(NS(=O)(=O)c2ccc(-c3ccc(Br)cc3)cc2)CCCC1
InChIInChI=1S/C18H20BrNO2S/c1-18(12-2-3-13-18)20-23(21,22)17-10-6-15(7-11-17)14-4-8-16(19)9-5-14/h4-11,20H,2-3,12-13H2,1H3
InChIKeyTWDDURUJARBYDL-UHFFFAOYSA-N
MW394.33 g/mol
LogP4.73
Rot. Bonds4

About 4-(4-bromophenyl)-N-(1-methylcyclopentyl)benzenesulfonamide

4-(4-bromophenyl)-N-(1-methylcyclopentyl)benzenesulfonamide (PubChem CID 90946350) has the molecular formula C18H20BrNO2S and a molecular weight of 394.33 g/mol. Its IUPAC name is 4-(4-bromophenyl)-N-(1-methylcyclopentyl)benzenesulfonamide.

Molecular Properties

Compound Name4-(4-bromophenyl)-N-(1-methylcyclopentyl)benzenesulfonamide
PubChem CID90946350
Molecular FormulaC18H20BrNO2S
Molecular Weight394.33 g/mol
Exact Mass393.04
IUPAC Name4-(4-bromophenyl)-N-(1-methylcyclopentyl)benzenesulfonamide
SMILESCC1(NS(=O)(=O)c2ccc(-c3ccc(Br)cc3)cc2)CCCC1
InChIInChI=1S/C18H20BrNO2S/c1-18(12-2-3-13-18)20-23(21,22)17-10-6-15(7-11-17)14-4-8-16(19)9-5-14/h4-11,20H,2-3,12-13H2,1H3
InChIKeyTWDDURUJARBYDL-UHFFFAOYSA-N
XLogP4.73
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.33
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-fluoro-N-(1-methylcyclopentyl)benzenesulfonamide
CID 47377345
4-hydroxy-N-(1-methylcyclopentyl)benzenesulfonamide
CID 64687056
4-amino-N-(1-methylcyclohexyl)benzenesulfonamide
CID 55207677
4-[(1-methylcyclohexyl)sulfamoyl]benzenesulfonyl fluoride
CID 114958260
4-[(1-methylcyclobutyl)sulfamoyl]benzenesulfonyl chloride
CID 113485497
N-(1-methylcyclopentyl)-4-(propylamino)benzenesulfonamide
CID 64687908
N-(4-bromophenyl)sulfonyl-1-methylcyclopentane-1-carboxamide
CID 13027906
4-(1-aminoethyl)-N-(1-methylcyclobutyl)benzenesulfonamide
CID 113485629
5-bromo-N-(1-methylcyclohexyl)-2-nitrobenzenesulfonamide
CID 61223531
N-(1-methylcyclopropyl)benzenesulfonamide
CID 67608807
3-bromo-N-(1-methylcyclopropyl)benzenesulfonamide
CID 115634617
6-(methylamino)-N-(1-methylcyclohexyl)pyridine-3-sulfonamide
CID 62158085

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromophenyl)-N-(1-methylcyclopentyl)benzenesulfonamide?
The IUPAC name of 4-(4-bromophenyl)-N-(1-methylcyclopentyl)benzenesulfonamide (CID 90946350) is 4-(4-bromophenyl)-N-(1-methylcyclopentyl)benzenesulfonamide.
What is the SMILES notation for 4-(4-bromophenyl)-N-(1-methylcyclopentyl)benzenesulfonamide?
The canonical SMILES for 4-(4-bromophenyl)-N-(1-methylcyclopentyl)benzenesulfonamide is CC1(NS(=O)(=O)c2ccc(-c3ccc(Br)cc3)cc2)CCCC1.
What is the InChIKey of 4-(4-bromophenyl)-N-(1-methylcyclopentyl)benzenesulfonamide?
The InChIKey is TWDDURUJARBYDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20BrNO2S/c1-18(12-2-3-13-18)20-23(21,22)17-10-6-15(7-11-17)14-4-8-16(19)9-5-14/h4-11,20H,2-3,12-13H2,1H3.
What are the key properties of 4-(4-bromophenyl)-N-(1-methylcyclopentyl)benzenesulfonamide?
4-(4-bromophenyl)-N-(1-methylcyclopentyl)benzenesulfonamide has a molecular weight of 394.33 g/mol, XLogP of 4.73, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromophenyl)-N-(1-methylcyclopentyl)benzenesulfonamide is sourced from PubChem (CID 90946350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).